SCHEMBL6463134

SCHEMBL6463134

Cc1cnc(NC2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)nc1N(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.56
MCHR1 Q99705 9/20 0.55
ADRA2A P08913 6/20 0.55
HTR2B P41595 6/20 0.55
HRH1 P35367 5/20 0.55
ADRA1A P35348 4/20 0.54
RECQL P46063 1/20 0.50
HTR1A P08908 1/20 0.45
MAPK1 P28482 3/20 0.45
POLB P06746 1/20 0.42

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
SCHEMBL6463132 1.00 ACACB (0.56) ACACBMCHR1ADRA2AHTR2BHRH1
SCHEMBL6457553 0.92 MCHR1 (0.63) ACACBMCHR1ADRA2AHTR2BHRH1
SCHEMBL6457562 0.92 MCHR1 (0.63) ACACBMCHR1ADRA2AHTR2BHRH1
Hydrochloric Acid SCHEMBL6458533 0.91 MCHR1 (0.62) ACACBMCHR1ADRA2AHTR2BHRH1
Hydrochloric Acid SCHEMBL6458543 0.91 MCHR1 (0.62) ACACBMCHR1ADRA2AHTR2BHRH1
SCHEMBL6460425 0.90 MCHR1 (0.64) ACACBMCHR1ADRA2AHTR2BHRH1
SCHEMBL6459788 0.90 MCHR1 (0.64) ACACBMCHR1ADRA2AHTR2BHRH1
SCHEMBL6457070 0.90 ACACB (0.56) ACACBMCHR1ADRA2AHTR2BHRH1
SCHEMBL6461770 0.90 ACACB (0.56) ACACBMCHR1ADRA2AHTR2BHRH1
SCHEMBL6460419 0.90 MCHR1 (0.64) ACACBMCHR1ADRA2AHTR2BHRH1

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 4 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
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 ACACB 3035/4885MCHR1 2/4885ADRA2A 117/4885

“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.