SCHEMBL824037

SCHEMBL824037

CC(C)(C)OCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.46
HRH3 Q9Y5N1 3/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
ACHE P22303 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
PSMB1 P20618 2/20 0.44
PSMB5 P28074 2/20 0.44

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
SCHEMBL13656337 0.98 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHRH3CHRM2
SCHEMBL2734116 0.98 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHRH3CHRM2
SCHEMBL10159897 0.95 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHRH3CHRM2
SCHEMBL12788388 0.94 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4EHRH3CHRM2
SCHEMBL19958953 0.93 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHRH3CHRM2
SCHEMBL19958939 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHRH3CHRM2
SCHEMBL22560689 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EHRH3CHRM2
SCHEMBL823898 0.86 HRH3 (0.49) ALDH1A1HRH3CYP2D6CYP2C19MEN1
SCHEMBL20234633 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EHRH3CHRM2
SCHEMBL29314432 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EHRH3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 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-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-06-26 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-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2007-08-16 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 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 (11 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 2379/4885SMN1; SMN2 2486/4885KDM4E 4173/4885
US-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues AHR, HCAR2, HCAR1 ALDH1A1 273/4885SMN1; SMN2 3167/4885KDM4E 2403/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI ALDH1A1 1674/4885SMN1; SMN2 2512/4885KDM4E 4796/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B ALDH1A1 3735/4885SMN1; SMN2 4718/4885KDM4E 444/4885
US-20080139597-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885KDM4E 1022/4885
US-20230226186-A1 RAS INHIBITORS KRAS, NRAS, HRAS ALDH1A1 4437/4885SMN1; SMN2 3728/4885KDM4E 3535/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885KDM4E 1022/4885
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885KDM4E 1022/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 ALDH1A1 128/4885SMN1; SMN2 1943/4885KDM4E 3895/4885
US-20080153815-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, MERTK ALDH1A1 4120/4885SMN1; SMN2 3487/4885KDM4E 4278/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE ALDH1A1 1472/4885SMN1; SMN2 4559/4885KDM4E 1022/4885

“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.