SCHEMBL9894952

SCHEMBL9894952

Cn1c(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)cc(C(=O)N2CC(C)(C)c3cc(F)ccc32)cc1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.48
RAMP1 O60894 3/20 0.43
CALCA P06881 1/20 0.41
CALCB P10092 2/20 0.41
ADM2 Q7Z4H4 2/20 0.41

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
SCHEMBL9895135 0.88 CALCRL (0.45) CALCRLRAMP1CALCACALCBADM2
SCHEMBL9896635 0.87 CALCRL (0.47) CALCRLRAMP1CALCACALCBADM2
SCHEMBL9894749 0.84 CALCRL (0.45) CALCRLRAMP1CALCACALCBADM2
SCHEMBL13846619 0.79 CALCRL (0.41) CALCRLCALCBADM2
SCHEMBL9896154 0.74 CALCRL (0.44) CALCRLRAMP1CALCAADM2
SCHEMBL3045032 0.73 CALCRL (0.45) CALCRLRAMP1CALCAADM2
SCHEMBL9897769 0.73 CALCRL (0.43) CALCRLRAMP1CALCAADM2
SCHEMBL3049089 0.72 CALCRL (0.46) CALCRLRAMP1CALCAADM2
SCHEMBL550430 0.70 CALCRL (0.44) CALCRLRAMP1CALCACALCB
SCHEMBL3042197 0.70 CALCRL (0.44) CALCRLRAMP1CALCACALCB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US claimed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US claimed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 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-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
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
WO-2009065922-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO 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 (3 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 CALCRL 2241/4885RAMP1 1313/4885CALCA 4325/4885
US-20120149698-A1 NOUVEL COMPOUNDS BDKRB2, CALCR, CALCRL CALCRL 3/4885RAMP1 130/4885CALCA 22/4885
US-20130245009-A1 NOVEL COMPOUNDS CALCRL, CALCR, BDKRB2 CALCRL 1/4885RAMP1 81/4885CALCA 7/4885

“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.