SCHEMBL6460055

SCHEMBL6460055

COc1cc(OC)c(CNC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.44
ADRA2A P08913 3/20 0.44
NPY5R Q15761 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ACHE P22303 2/20 0.36
BACE1 P56817 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
KCNH2 Q12809 2/20 0.35
CYP2D6 P10635 1/20 0.35
GRIN2B Q13224 1/20 0.35
CNR1 P21554 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL6874340 1.00 MCHR1 (0.44) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6873577 0.93 MCHR1 (0.42) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6873584 0.93 MCHR1 (0.42) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6467756 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RACHEBACE1
SCHEMBL6874350 0.91 MCHR1 (0.44) MCHR1ADRA2ANPY5RACHEBACE1
SCHEMBL6464914 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6880166 0.90 MCHR1 (0.49) MCHR1ADRA2ANPY5RKDM4EALDH1A1
SCHEMBL6459873 0.88 APLNR (0.44) MCHR1ADRA2ANPY5RALDH1A1ACHE
SCHEMBL6874596 0.88 APLNR (0.44) MCHR1ADRA2ANPY5RALDH1A1ACHE
SCHEMBL6875477 0.87 KCNH2 (0.43) MCHR1ADRA2ANPY5RACHEDRD2

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 4 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
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
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 117/4885NPY5R 8/4885

“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.