SCHEMBL6461973

SCHEMBL6461973

CN(C)c1cc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.68
ADRA2A P08913 13/20 0.68
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57
HTR2B P41595 2/20 0.57
HTR1A P08908 1/20 0.57
NPY5R Q15761 1/20 0.57
TACR1 P25103 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6461979 1.00 MCHR1 (0.68) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879862 0.93 MCHR1 (0.57) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6879865 0.93 MCHR1 (0.57) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6463258 0.92 MCHR1 (0.59) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6463253 0.92 MCHR1 (0.59) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6880770 0.91 MCHR1 (0.56) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6880776 0.91 MCHR1 (0.56) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6462766 0.90 MCHR1 (0.70) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6462772 0.90 MCHR1 (0.70) MCHR1ADRA2AADRA1AHRH1HTR2B
SCHEMBL6873136 0.90 MCHR1 (0.60) MCHR1ADRA2AADRA1AHRH1HTR2B

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 117/4885ADRA1A 209/4885

“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.