SCHEMBL17814092

SCHEMBL17814092

CN1C(=O)Cc2cc(-c3cncc4c3COCC4O)ccc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.60
CYP11B2 P19099 13/20 0.60
ACVRL1 P37023 7/20 0.48
ACVR1 Q04771 7/20 0.48
BMPR1B O00238 6/20 0.48
BMPR1A P36894 6/20 0.48
TGFBR1 P36897 3/20 0.46

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
SCHEMBL19348311 0.88 CYP11B1 (0.59) CYP11B1CYP11B2ACVRL1ACVR1BMPR1B
SCHEMBL21105227 0.86 CYP11B2 (0.52) CYP11B1CYP11B2ACVRL1ACVR1BMPR1B
SCHEMBL17814090 0.82 CYP11B2 (0.68) CYP11B1CYP11B2
SCHEMBL21105211 0.81 CYP11B2 (0.51) CYP11B1CYP11B2
SCHEMBL17814127 0.81 CYP11B2 (0.68) CYP11B1CYP11B2
SCHEMBL17814093 0.78 CYP11B2 (0.47) CYP11B1CYP11B2
SCHEMBL17814186 0.77 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL17814176 0.77 PDE3B (0.47) CYP11B1CYP11B2ACVRL1ACVR1BMPR1B
SCHEMBL17814192 0.76 CYP11B1 (0.42) CYP11B1CYP11B2
SCHEMBL17814179 0.75 CYP11B1 (0.45) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
WO-2016089800-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 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-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 CYP11B1 1/4885CYP11B2 3/4885ACVRL1 1467/4885

“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.