SCHEMBL9916989

SCHEMBL9916989

CC1(C)CN(C(=O)c2cc(Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)[nH]c(=O)c2)Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 12/20 0.46
ADM2 Q7Z4H4 8/20 0.43
CALCB P10092 7/20 0.43

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
SCHEMBL9916988 0.89 CALCRL (0.43) CALCRLADM2CALCB
SCHEMBL3046772 0.83 CALCRL (0.46) CALCRLADM2CALCB
SCHEMBL9896635 0.83 CALCRL (0.47) CALCRLADM2CALCB
SCHEMBL9916986 0.82 CALCRL (0.47) CALCRLADM2CALCB
SCHEMBL9916990 0.81 CALCB (0.46) CALCRLADM2CALCB
SCHEMBL15258071 0.78 CALCRL (0.39) CALCRLADM2CALCB
SCHEMBL13846573 0.77 CALCRL (0.40) CALCRLADM2CALCB
SCHEMBL9896154 0.77 CALCRL (0.44) CALCRLADM2
SCHEMBL9917030 0.76 CALCRL (0.43) CALCRLADM2CALCB
SCHEMBL9916985 0.76 CALCRL (0.43) CALCRL

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 5 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-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
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 (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 3/4885ADM2 50/4885CALCB 19/4885
US-20130245009-A1 NOVEL COMPOUNDS CALCRL, CALCR, BDKRB2 CALCRL 1/4885ADM2 200/4885CALCB 8/4885

“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.