SCHEMBL17465822

SCHEMBL17465822

CC1(C)Cc2ncn(-c3ccc(C(N)=O)cc3F)c2C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 12/20 0.40
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ FGFR1 P11362 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

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
SCHEMBL17465821 0.88 CYP11B2 (0.49) CYP11B2FGFR1PARP1
SCHEMBL17465816 0.87 CYP11B2 (0.37) CYP11B2OPRM1OPRL1FGFR1PARP1
SCHEMBL17456328 0.80 CYP11B2 (0.46) CYP11B2OPRM1OPRL1
SCHEMBL17456314 0.75 CYP11B2 (0.45) CYP11B2FGFR1PARP1HSP90AA1
SCHEMBL17456287 0.75 CYP11B2 (0.54) CYP11B2
SCHEMBL31307576 0.75 CYP11B2 (0.54) CYP11B2
SCHEMBL17456293 0.73 CYP11B2 (0.54) CYP11B2
SCHEMBL17456282 0.73 CYP11B2 (0.66) CYP11B2
SCHEMBL17456309 0.71 CYP11B2 (0.64) CYP11B2ALDH1A1
SCHEMBL17456266 0.70 CYP11B2 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 — — EP disclosed
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
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — WO disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — 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 (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 3/4885OPRM1 2949/4885OPRL1 1754/4885

“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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