SCHEMBL823889

SCHEMBL823889

CN1CCN(CCOC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 1/20 0.38
KCNH2 Q12809 2/20 0.37
CACNA1I Q9P0X4 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
PAOX Q6QHF9 1/20 0.34
MAPT P10636 1/20 0.34
DRD3 P35462 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19958939 0.93 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2KCNH2CACNA1I
SCHEMBL22560689 0.91 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2KCNH2CACNA1I
SCHEMBL10192131 0.87 HRH3 (0.42) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL22560529 0.86 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2KCNH2CACNA1I
SCHEMBL19958953 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2KCNH2CACNA1I
SCHEMBL13174317 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL18859433 0.84 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2KCNH2CACNA1I
SCHEMBL12788374 0.84 HSD11B1 (0.39) ALDH1A1KDM4ESMN1; SMN2KCNH2CACNA1I
SCHEMBL29339342 0.84 KCNH2 (0.43) KCNH2CACNA1IMEN1KMT2AHRH3
SCHEMBL10159897 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2KCNH2CACNA1I

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 123 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-04-27 US disclosed
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-04-27 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-20080214572-A1 Selected Tetracyclic Tetrahydrofuran Derivatives Containing a Cyclic Amine Side Chain FERNANDEZ-GADEA FRANCISCO JAVIER 2008-09-04 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885KDM4E 4173/4885SMN1; SMN2 2486/4885
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 ALDH1A1 3671/4885KDM4E 1613/4885SMN1; SMN2 1838/4885
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 ALDH1A1 918/4885KDM4E 4699/4885SMN1; SMN2 1602/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 680/4885KDM4E 258/4885SMN1; SMN2 3557/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI ALDH1A1 1674/4885KDM4E 4796/4885SMN1; SMN2 2512/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB ALDH1A1 2379/4885KDM4E 4173/4885SMN1; SMN2 2486/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885
US-20080214572-A1 Selected Tetracyclic Tetrahydrofuran Derivatives Containing a Cyclic Amine Side Chain HTR2C, HTR2A, HTR5A ALDH1A1 1152/4885KDM4E 4597/4885SMN1; SMN2 2040/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP8, FKBP2, FKBP1A ALDH1A1 4332/4885KDM4E 1419/4885SMN1; SMN2 2332/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885KDM4E 1022/4885SMN1; SMN2 4559/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.