SCHEMBL21816623

SCHEMBL21816623

CCCCOC(=O)N(C)CCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 7/20 0.47
MAPK1 P28482 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCN3A Q9NY46 1/20 0.47
THRB P10828 5/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 2/20 0.46

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
SCHEMBL22282225 0.85 TSHR (0.47) LMNAPOLBALDH1A1MAPTKMT2A
SCHEMBL22281749 0.79 TDP1 (0.48) SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL7003684 0.79 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL2811457 0.78 GLA (0.44) LMNASMN1; SMN2ALDH1A1MAPK1HRH3
SCHEMBL12332157 0.78 GLA (0.42) SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL11243579 0.77 THRB (0.45) ALDH1A1SIGMAR1THRBKMT2ATHRA
SCHEMBL65326 0.77 THRB (0.60) LMNASMN1; SMN2POLBALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11244737 0.76 THRB (0.44) LMNAALDH1A1MAPK1THRBMAPT
SCHEMBL12206730 0.75 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KMT2ATSHRNPC1
SCHEMBL2376936 0.75 CTSD (0.46) SMN1; SMN2POLBALDH1A1KMT2AUSP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 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 (3 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-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR LMNA 4711/4885SMN1; SMN2 1159/4885POLB 3121/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR LMNA 4594/4885SMN1; SMN2 4772/4885POLB 1181/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR LMNA 4594/4885SMN1; SMN2 4772/4885POLB 1181/4885

“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.