SCHEMBL17987412

SCHEMBL17987412

CC1(C)CC(=O)c2c(noc2Cc2ccc(C(=O)N3CCC[C@H](O)C3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.54
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GRM3 Q14832 1/20 0.41
▸ VNN1 O95497 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ CSNK1G1 Q9HCP0 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ CLPP Q16740 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL20546679 1.00 CYP11B2 (0.54) CYP11B2KMT2AALDH1A1MEN1GRM3
SCHEMBL17987413 1.00 CYP11B2 (0.54) CYP11B2KMT2AALDH1A1MEN1GRM3
SCHEMBL17963597 0.95 CYP11B2 (0.60) CYP11B2KMT2AALDH1A1MEN1VNN1
SCHEMBL17987303 0.95 CYP11B2 (0.60) CYP11B2KMT2AALDH1A1MEN1VNN1
SCHEMBL17963596 0.95 CYP11B2 (0.60) CYP11B2KMT2AALDH1A1MEN1VNN1
SCHEMBL17987122 0.89 ALDH1A1 (0.54) CYP11B2KMT2AALDH1A1MEN1HPGD
SCHEMBL20547108 0.84 KMT2A (0.47) CYP11B2KMT2AALDH1A1MEN1VNN1
SCHEMBL17987294 0.84 KMT2A (0.47) CYP11B2KMT2AALDH1A1MEN1VNN1
SCHEMBL17963609 0.81 CYP11B2 (0.48) CYP11B2KMT2AALDH1A1MEN1VNN1
SCHEMBL17963610 0.81 CYP11B2 (0.48) CYP11B2KMT2AALDH1A1MEN1VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 — — EP disclosed
US-10131642-B1 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-20 — — US disclosed
US-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-01 — — US disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 — — 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-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 5/4885KMT2A 3968/4885ALDH1A1 250/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 CYP11B2 5/4885KMT2A 3968/4885ALDH1A1 250/4885

“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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