SCHEMBL17814176

SCHEMBL17814176

O=C1Cc2cc(-c3cncc4c3COCC4O)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
CYP1A2 P05177 1/20 0.46
GRIA1 P42261 5/20 0.44
CACNG8 Q8WXS5 2/20 0.44
CRBN Q96SW2 1/20 0.43
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRD4 O60885 2/20 0.40
CREBBP Q92793 1/20 0.40
PGR P06401 3/20 0.39

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
SCHEMBL17814122 0.90 CYP11B1 (0.53) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL19348323 0.88 PDE3B (0.48) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL21105293 0.84 PDE3B (0.44) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL17814080 0.81 CYP11B2 (0.51) CYP11B1CYP11B2
SCHEMBL17814135 0.80 CYP11B1 (0.50) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL21105070 0.80 PDE3B (0.40) PDE3BPDE3ACYP11B1CYP11B2CYP1A2
SCHEMBL17814186 0.79 CYP11B1 (0.47) CYP11B1CYP11B2CYP1A2
SCHEMBL17814181 0.77 MAPK1 (0.46) CYP11B1CYP11B2TGFBR1ACVR1
SCHEMBL17814179 0.77 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2PGR
SCHEMBL17814092 0.77 CYP11B1 (0.60) CYP11B1CYP11B2BMPR1BBMPR1ATGFBR1

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 PDE3B 125/4885PDE3A 212/4885CYP11B1 1/4885

“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.