SCHEMBL17963609

SCHEMBL17963609

CC1(C)Cc2noc(Cc3ccc(C(=O)N4CC[C@@H](O)C4)cc3)c2C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.48
▸ KMT2A Q03164 2/20 0.43
▸ HDAC4 P56524 1/20 0.41
▸ GABRA5 P31644 1/20 0.39
▸ CCNC P24863 3/20 0.38
▸ CDK8 P49336 3/20 0.38
▸ CDK19 Q9BWU1 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TYK2 P29597 1/20 0.37
▸ USP1 O94782 2/20 0.37
▸ VNN1 O95497 1/20 0.37
▸ PDK2 Q15119 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35

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
SCHEMBL17963610 1.00 CYP11B2 (0.48) CYP11B2KMT2AHDAC4GABRA5CCNC
SCHEMBL17987303 0.86 CYP11B2 (0.60) CYP11B2KMT2AHDAC4GABRA5CCNC
SCHEMBL17963596 0.86 CYP11B2 (0.60) CYP11B2KMT2AHDAC4GABRA5CCNC
SCHEMBL17963597 0.86 CYP11B2 (0.60) CYP11B2KMT2AHDAC4GABRA5CCNC
SCHEMBL17987412 0.81 CYP11B2 (0.54) CYP11B2KMT2AHDAC4RAB9ANPC1
SCHEMBL20546679 0.81 CYP11B2 (0.54) CYP11B2KMT2AHDAC4RAB9ANPC1
SCHEMBL17987413 0.81 CYP11B2 (0.54) CYP11B2KMT2AHDAC4RAB9ANPC1
SCHEMBL17963580 0.80 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL17987316 0.78 RAB9A (0.45) CYP11B2KMT2ARAB9AMEN1ALDH1A1
SCHEMBL20547069 0.76 KMT2A (0.43) CYP11B2KMT2AHDAC4GABRA5CCNC

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-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
EP-3250569-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-12-06 — — EP disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 — — WO 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 3968/4885HDAC4 2735/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 CYP11B2 5/4885KMT2A 3968/4885HDAC4 2735/4885

“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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