SCHEMBL6460221

SCHEMBL6460221

Cc1c(Cl)cccc1NC(=O)NCC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 2/20 0.45
MAPK14 Q16539 3/20 0.45
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6460215 1.00 MCHR1 (0.47) MCHR1TP53KMT2AMAPK14TSHR
SCHEMBL6460500 0.92 MCHR1 (0.45) MCHR1TP53KMT2AMAPK14ADRA2A
SCHEMBL6460506 0.92 MCHR1 (0.45) MCHR1TP53KMT2AMAPK14ADRA2A
SCHEMBL6875689 0.92 MAPK14 (0.50) MCHR1KMT2AMAPK14SMN1; SMN2ADRA2A
SCHEMBL6875685 0.92 MAPK14 (0.50) MCHR1KMT2AMAPK14SMN1; SMN2ADRA2A
Hydrochloric Acid SCHEMBL6459438 0.91 MCHR1 (0.45) MCHR1TP53KMT2AMAPK14ADRA2A
Hydrochloric Acid SCHEMBL6459443 0.91 MCHR1 (0.45) MCHR1TP53KMT2AMAPK14ADRA2A
SCHEMBL6458463 0.89 MCHR1 (0.47) MCHR1MAPK14ADRA2AADRA1AHRH1
SCHEMBL6458476 0.89 MCHR1 (0.47) MCHR1MAPK14ADRA2AADRA1AHRH1
SCHEMBL6876093 0.88 TSHR (0.57) MCHR1KMT2AMAPK14TSHRSMN1; SMN2

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 5 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
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 2/4885TP53 4482/4885KMT2A 693/4885

“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.