SCHEMBL17814093

SCHEMBL17814093

CN1CCc2cc(-c3cncc4c3COCC4O)ccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 0.47
CYP11B1 P15538 14/20 0.47
GRM5 P41594 1/20 0.38
OPRD1 P41143 1/20 0.38
PRF1 P14222 2/20 0.38
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 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
SCHEMBL17814186 0.83 CYP11B1 (0.47) CYP11B2CYP11B1
SCHEMBL17814179 0.81 CYP11B1 (0.45) CYP11B2CYP11B1
SCHEMBL17814181 0.79 MAPK1 (0.46) CYP11B2CYP11B1
SCHEMBL17814092 0.78 CYP11B1 (0.60) CYP11B2CYP11B1
SCHEMBL21105107 0.76 CYP11B1 (0.49) CYP11B2CYP11B1
SCHEMBL17814122 0.75 CYP11B1 (0.53) CYP11B2CYP11B1
SCHEMBL17814192 0.75 CYP11B1 (0.42) CYP11B2CYP11B1
SCHEMBL17814180 0.74 MAOB (0.44) CYP11B2CYP11B1GRM5
SCHEMBL17814171 0.74 CYP11B1 (0.43) CYP11B2CYP11B1
SCHEMBL17814176 0.74 PDE3B (0.47) CYP11B2CYP11B1

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 CYP11B2 3/4885CYP11B1 1/4885GRM5 3433/4885

“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.