SCHEMBL6460592

SCHEMBL6460592

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Nc3cccc(Cl)c3Cl)CC2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MCHR1 Q99705 14/20 0.43
ADRA2A P08913 12/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HRH1 P35367 4/20 0.42
HTR2B P41595 4/20 0.42
ADRA1A P35348 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
TRPV1 Q8NER1 2/20 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
SCHEMBL6460597 1.00 TSHR (0.44) TSHRSMN1; SMN2MCHR1ADRA2ANPC1
SCHEMBL6877514 0.93 NPC1 (0.52) TSHRSMN1; SMN2MCHR1ADRA2ANPC1
SCHEMBL6872741 0.92 SMN1; SMN2 (0.56) TSHRSMN1; SMN2MCHR1ADRA2ANPC1
SCHEMBL6872737 0.92 SMN1; SMN2 (0.56) TSHRSMN1; SMN2MCHR1ADRA2ANPC1
SCHEMBL6879572 0.90 MCHR1 (0.44) TSHRSMN1; SMN2MCHR1ADRA2AHRH1
SCHEMBL6879578 0.90 MCHR1 (0.44) TSHRSMN1; SMN2MCHR1ADRA2AHRH1
SCHEMBL6878156 0.89 ALDH1A1 (0.47) SMN1; SMN2MCHR1ADRA2ARAB9AHRH1
SCHEMBL6878162 0.89 ALDH1A1 (0.47) SMN1; SMN2MCHR1ADRA2ARAB9AHRH1
SCHEMBL6463152 0.89 MCHR1 (0.44) MCHR1ADRA2ARAB9AHRH1HTR2B
SCHEMBL6463150 0.89 MCHR1 (0.44) MCHR1ADRA2ARAB9AHRH1HTR2B

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 TSHR 156/4885SMN1; SMN2 1477/4885MCHR1 2/4885

“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.