SCHEMBL6459737

SCHEMBL6459737

COc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3cc(C)c4ccccc4n3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.57
ADRA2A P08913 6/20 0.56
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
GRM5 P41594 1/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL6459746 1.00 MCHR1 (0.57) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6458063 0.99 MCHR1 (0.56) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6458068 0.99 MCHR1 (0.56) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6455946 0.89 SMN1; SMN2 (0.56) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6455944 0.89 SMN1; SMN2 (0.56) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6465392 0.89 KDM4E (0.51) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6465400 0.89 KDM4E (0.51) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6831281 0.88 SMN1; SMN2 (0.55) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6456528 0.88 SMN1; SMN2 (0.55) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6457484 0.88 MCHR1 (0.50) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2

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 MCHR1 2/4885ADRA2A 117/4885LMNA 3391/4885

“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.