SCHEMBL9897769

SCHEMBL9897769

COc1cc(C(=O)N2CCc3cc(F)ccc32)cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.43
RAMP1 O60894 2/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CALCA P06881 1/20 0.40
ADM2 Q7Z4H4 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
SCHEMBL9894749 0.89 CALCRL (0.45) CALCRLRAMP1CALCAADM2
SCHEMBL3045032 0.88 CALCRL (0.45) CALCRLRAMP1CALCAADM2
SCHEMBL9895135 0.84 CALCRL (0.45) CALCRLRAMP1CALCAADM2
SCHEMBL9896154 0.84 CALCRL (0.44) CALCRLRAMP1CALCAADM2
SCHEMBL13846566 0.83 CALCRL (0.39) CALCRLADM2
SCHEMBL550234 0.83 CALCRL (0.44) CALCRLRAMP1CALCA
SCHEMBL550430 0.83 CALCRL (0.44) CALCRLRAMP1CALCA
SCHEMBL3042197 0.83 CALCRL (0.44) CALCRLRAMP1CALCA
SCHEMBL3049089 0.82 CALCRL (0.46) CALCRLRAMP1CALCAADM2
SCHEMBL12923070 0.81 CALCRL (0.45) CALCRLRAMP1CALCAADM2

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-20130245009-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130245009-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130245009-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20120149698-A1 NOUVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-20120149698-A1 NOUVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-20120149698-A1 NOUVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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 (2 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-20120149698-A1 NOUVEL COMPOUNDS BDKRB2, CALCR, CALCRL CALCRL 3/4885RAMP1 130/4885HTR2C 798/4885
US-20130245009-A1 NOVEL COMPOUNDS CALCRL, CALCR, BDKRB2 CALCRL 1/4885RAMP1 81/4885HTR2C 389/4885

“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.