SCHEMBL17465821

SCHEMBL17465821

CC1(C)Cc2ncn(-c3ccc(C(N)=O)cc3Cl)c2C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 12/20 0.49
▸ PARP1 P09874 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ CCL2 P13500 2/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ CREBBP Q92793 1/20 0.34

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
SCHEMBL17465822 0.88 CYP11B2 (0.40) CYP11B2PARP1FGFR1
SCHEMBL17456314 0.87 CYP11B2 (0.45) CYP11B2PARP1PARP2GRM4FGFR1
SCHEMBL31307573 0.80 CYP11B2 (0.50) CYP11B2
SCHEMBL17456313 0.80 CYP11B2 (0.50) CYP11B2
SCHEMBL17465816 0.75 CYP11B2 (0.37) CYP11B2PARP1FGFR1
SCHEMBL25584370 0.75 CYP11B2 (0.54) CYP11B2
SCHEMBL17456286 0.74 CYP11B2 (0.67) CYP11B2
SCHEMBL17456287 0.73 CYP11B2 (0.54) CYP11B2
SCHEMBL31307576 0.73 CYP11B2 (0.54) CYP11B2
SCHEMBL17456334 0.73 CYP11B2 (0.64) CYP11B2

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-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 — — US disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 — — US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — US disclosed
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — 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 (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-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 CYP11B2 3/4885PARP1 1663/4885PARP2 2748/4885

“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.

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