Sugi Predict

Sugi Predict / Compounds / SCHEMBL11772012

SCHEMBL11772012

SCHEMBL11772012

Brc1ccc2c(c1)CCc1nncn1-2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 7/20 0.56
▸ CYP11B1 P15538 5/20 0.48
▸ SRD5A1 P18405 1/20 0.38
▸ ROCK1 Q13464 1/20 0.37
▸ GABRG2 P18507 4/20 0.36
▸ GABRB3 P28472 4/20 0.36
▸ GABRA5 P31644 4/20 0.36
▸ HSD17B3 P37058 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ AVPR1A P37288 1/20 0.33

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
SCHEMBL11779018 0.77 CYP11B2 (0.52) CYP11B2CYP11B1SRD5A1CYP19A1
SCHEMBL11778334 0.76 CYP11B2 (0.54) CYP11B2CYP11B1SRD5A1HSD17B3TSHR
SCHEMBL17211104 0.72 CYP11B2 (0.59) CYP11B2CYP11B1
SCHEMBL16897477 0.71 KCNJ1 (0.59) SRD5A1ROCK1HSD17B3TSHRAVPR1A
SCHEMBL13727392 0.70 CYP11B2 (0.56) CYP11B2CYP11B1GABRA5TSHRCYP19A1
SCHEMBL11829703 0.69 OPRK1 (0.58) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL11396361 0.69 GABRG2 (0.41) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL8182091 0.69 BLM (0.51) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL11394908 0.68 GABRA5 (0.40) CYP11B2CYP11B1GABRG2GABRB3GABRA5
SCHEMBL11825892 0.68 GABRA5 (0.54) GABRG2GABRB3GABRA5TSHROPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 — — EP disclosed
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 — — EP disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 — — US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 — — US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 — — US disclosed
EP-2701512-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-03-05 — — EP disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 — — US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 — — US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 — — US disclosed
WO-2012148808-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-01 — — WO disclosed
US-3953457-A S-TRIAZOLO(4,3-A)QUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 1976-04-27 — — US 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-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 CYP11B2 8/4885CYP11B1 6/4885SRD5A1 21/4885

“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.