SCHEMBL6461446

SCHEMBL6461446

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)Cc3ccccc3I)CC2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.44
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
NPY5R Q15761 5/20 0.40
ADRA2A P08913 3/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.37
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ACACB O00763 2/20 0.36
ACACA Q13085 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
NAPEPLD Q6IQ20 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
SCHEMBL6461455 1.00 MCHR1 (0.44) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6867592 0.90 MCHR1 (0.45) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6867585 0.90 MCHR1 (0.45) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6462142 0.90 MCHR1 (0.47) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6462141 0.90 MCHR1 (0.47) MCHR1NPY5RADRA2AKDM4ELMNA
SCHEMBL6868396 0.90 MCHR1 (0.44) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6868405 0.90 MCHR1 (0.44) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6879386 0.88 MCHR1 (0.47) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6879382 0.88 MCHR1 (0.47) MCHR1ITGB3ITGAVNPY5RADRA2A
SCHEMBL6875316 0.86 MCHR1 (0.48) MCHR1NPY5RADRA2AACACBACACA

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 2/4885ITGB3 4409/4885ITGAV 4342/4885

“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.