SCHEMBL6463776

SCHEMBL6463776

Cc1cnc(N[C@H]2CC[C@@H](NC(=O)NC(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc1N(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.64
ADRA2A P08913 9/20 0.64
HTR2B P41595 6/20 0.64
ADRA1A P35348 5/20 0.64
HTR1A P08908 1/20 0.64
HRH1 P35367 6/20 0.56
BTK Q06187 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CETP P11597 1/20 0.37

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
SCHEMBL6527549 1.00 MCHR1 (0.64) MCHR1ADRA2AHTR2BADRA1AHTR1A
Trifluoroacetic Acid SCHEMBL6455670 0.96 MCHR1 (0.60) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6462420 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6462425 0.89 MCHR1 (0.64) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6456498 0.88 MCHR1 (0.65) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6456503 0.88 MCHR1 (0.65) MCHR1ADRA2AHTR2BADRA1AHTR1A
Trifluoroacetic Acid SCHEMBL6875037 0.85 MCHR1 (0.60) MCHR1ADRA2AHTR2BADRA1AHTR1A
Trifluoroacetic Acid SCHEMBL6458228 0.85 MCHR1 (0.60) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6463252 0.85 MCHR1 (0.78) MCHR1ADRA2AHTR2BADRA1AHTR1A
SCHEMBL6463257 0.85 MCHR1 (0.78) MCHR1ADRA2AHTR2BADRA1AHTR1A

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 9 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
US-6891005-B2 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED (GB) 2005-05-10 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
US-20030199650-A1 Bridged metal complexes for gas phase polymerizations BP CHEMICALS LIMITED 2003-10-23 US disclosed
US-6376406-B1 COORDINATION POLYMERIZATION CATALYSTS FOR ALPHA-OLEFINS THE DOW CHEMICAL COMPANY 2002-04-23 US disclosed
US-6284905-B1 GROUP 4 TRANSITION METAL COMPLEX CONTAINING A BORON OR ALUMINUM BRIDGING GROUP CONTAINING A NITROGEN CONTAINING ELECTRON DONATING GROUP, ESPECIALLY AN AMIDO GROUP; OLEFIN SOLUTION OR SLURRY POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2001-09-04 US 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.