SCHEMBL6464556

SCHEMBL6464556

Cc1cnc(N[C@H]2CC[C@@H](NC(=O)C[S+]([O-])c3cccc(C(F)(F)F)c3)CC2)nc1N(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.61
ADRA2A P08913 9/20 0.54
HTR2B P41595 6/20 0.54
HRH1 P35367 6/20 0.54
ADRA1A P35348 5/20 0.54
HTR1A P08908 1/20 0.54
BTK Q06187 1/20 0.41
TNK2 Q07912 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CCR2 P41597 1/20 0.38
SMYD3 Q9H7B4 1/20 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
SCHEMBL6464562 1.00 MCHR1 (0.61) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6462025 0.99 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
Hydrochloric Acid SCHEMBL6462023 0.99 MCHR1 (0.60) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457712 0.88 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457717 0.88 MCHR1 (0.56) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457745 0.85 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6457754 0.85 MCHR1 (0.66) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456029 0.84 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6456024 0.84 MCHR1 (0.53) MCHR1ADRA2AHTR2BHRH1ADRA1A
SCHEMBL6461390 0.83 MCHR1 (0.57) MCHR1ADRA2AHTR2BHRH1ADRA1A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN claimed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN 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 claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 CN disclosed
CN-100451004-C Pyrimidine derivatives ARENA PHARM INC (JP) 2009-01-14 CN disclosed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed
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 117/4885HTR2B 22/4885

“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.