SCHEMBL6455397

SCHEMBL6455397

COc1cccc(N(C(=O)C(F)(F)F)C2CCC(Nc3ccc4ccccc4n3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
MC4R P32245 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRM1 P35372 1/20 0.40
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6463555 0.87 MEN1 (0.42) OPRM1MEN1USP2ALDH1A1LMNA
SCHEMBL6462855 0.85 MCHR1 (0.41) CNR2OPRM1MTNR1AMTNR1BMAPT
SCHEMBL6457127 0.80 CYP1A2 (0.40) CNR2MC4RKCNH2MTNR1AMTNR1B
Trifluoroacetic Acid SCHEMBL6455390 0.78 MCHR1 (0.51) CNR2ALDH1A1TSHRMAPK1MCHR1
Trifluoroacetic Acid SCHEMBL6831214 0.78 MCHR1 (0.51) CNR2ALDH1A1TSHRMAPK1MCHR1
SCHEMBL6460503 0.75 MCHR1 (0.57) CNR2MEN1ALDH1A1LMNATSHR
SCHEMBL6460496 0.75 MCHR1 (0.57) CNR2MEN1ALDH1A1LMNATSHR
SCHEMBL6464250 0.75 LMNA (0.50) MEN1LMNAKMT2AGPR6MAPT
Hydrochloric Acid SCHEMBL6464672 0.74 MCHR1 (0.56) CNR2MEN1ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL6464680 0.74 MCHR1 (0.56) CNR2MEN1ALDH1A1LMNATSHR

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 3 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 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 CNR2 52/4885MC4R 4/4885KCNH2 1870/4885

“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.