SCHEMBL6460756

SCHEMBL6460756

COc1cccc(OCC(=O)N[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
MCHR1 Q99705 4/20 0.55
CNR1 P21554 1/20 0.49
KCNH2 Q12809 1/20 0.49
AURKB Q96GD4 1/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL6460771 1.00 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1
Hydrochloric Acid SCHEMBL6455954 0.99 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1
Hydrochloric Acid SCHEMBL6455970 0.99 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL6455721 0.90 MCHR1 (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL6455704 0.90 MCHR1 (0.52) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL6455514 0.89 LMNA (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL6455521 0.89 LMNA (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL6869316 0.89 MCHR1 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL6869319 0.89 MCHR1 (0.55) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1
SCHEMBL6876586 0.85 AURKB (0.54) SMN1; SMN2CYP1A2CYP3A4CYP2C19MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US claimed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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 (1 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 SMN1; SMN2 1477/4885CYP1A2 304/4885CYP3A4 284/4885

“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.