SCHEMBL6459873

SCHEMBL6459873

COc1ccc(CNC[C@H]2CC[C@@H](Nc3nccc(N(C)C)n3)CC2)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
MCHR1 Q99705 2/20 0.43
ADRA2A P08913 1/20 0.43
NPY5R Q15761 1/20 0.43
CYP1A2 P05177 6/20 0.43
CYP3A4 P08684 6/20 0.43
CYP2C19 P33261 5/20 0.43
CYP2D6 P10635 5/20 0.43
USP2 O75604 4/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP7 P55210 1/20 0.43
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41
TSHR P16473 6/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL6874596 1.00 APLNR (0.44) APLNRMCHR1ADRA2ANPY5RCYP1A2
SCHEMBL6875677 0.94 MCHR1 (0.41) APLNRMCHR1ADRA2ANPY5RCYP1A2
SCHEMBL6875669 0.94 MCHR1 (0.41) APLNRMCHR1ADRA2ANPY5RCYP1A2
SCHEMBL6873577 0.90 MCHR1 (0.42) MCHR1ADRA2ANPY5RCYP2D6ALDH1A1
SCHEMBL6873584 0.90 MCHR1 (0.42) MCHR1ADRA2ANPY5RCYP2D6ALDH1A1
SCHEMBL6875902 0.90 MCHR1 (0.43) MCHR1ADRA2ANPY5RALDH1A1FLT3
SCHEMBL6875897 0.90 MCHR1 (0.43) MCHR1ADRA2ANPY5RALDH1A1FLT3
SCHEMBL6868672 0.90 CNR1 (0.41) MCHR1ADRA2ANPY5RCNR1KCNH2
SCHEMBL6868661 0.90 CNR1 (0.41) MCHR1ADRA2ANPY5RCNR1KCNH2
SCHEMBL6877339 0.89 MCHR1 (0.44) MCHR1ADRA2ANPY5RCNR1KCNH2

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 claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
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 APLNR 1859/4885MCHR1 2/4885ADRA2A 117/4885

“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.