SCHEMBL61843

SCHEMBL61843

O=C1Nc2ccc(Br)cc2C12CCCCC2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 14/20 0.56
PDE4A P27815 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4C Q08493 3/20 0.53
PDE4D Q08499 3/20 0.53
PDE3B Q13370 3/20 0.53
PDE3A Q14432 3/20 0.53
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 1/20 0.48

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
SCHEMBL1223242 0.98 PGR (0.55) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL5499005 0.95 PGR (0.55) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL4296570 0.91 PGR (0.53) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL1233730 0.87 PGR (0.46) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL2214049 0.85 BACE1 (0.50) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL22471385 0.85 PDE4A (0.46) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL1224056 0.85 MAPK14 (0.46) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL30036409 0.85 MAPK14 (0.46) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL5959179 0.84 EPHX2 (0.59) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL2255855 0.84 PGR (0.43) PGRPDE4APDE4BPDE4CPDE4D

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024192064-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 DEGRADERS AND USES THEREOF ONCOPIA THERAPEUTICS, INC. D/B/A/ PROTEOVANT THERAPEUTICS, INC. (US) 2024-09-19 WO disclosed
WO-2024064316-A1 COMPOUNDS AND COMPOSITIONS AS SMARCA2/4 INHIBITORS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-03-28 WO disclosed
US-9879026-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-30 US disclosed
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 US disclosed
US-8476262-B2 Cyanopyrroles WYETH LLC (US) 2013-07-02 US disclosed
US-20130012702-A1 PURIFICATION OF PROGESTERONE RECEPTOR MODULATORS WYETH LLC (US) 2013-01-10 US disclosed
US-20130012702-A1 PURIFICATION OF PROGESTERONE RECEPTOR MODULATORS WYETH LLC (US) 2013-01-10 US disclosed
US-8309594-B2 Purification of progesterone receptor modulators WYETH LLC (US) 2012-11-13 US disclosed
US-6407101-B1 PROGESTERONE RECEPTOR ANTAGONISTS; CONTRACEPTIVES, HORMONE REPLACEMENT THERAPY; BREAST AND PROSTATE CANCER TREATMENT; MENOPAUSE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-20020068735-A1 Cyanopyrroles AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
EP-1181275-A1 THIO-OXINDOLE DERIVATIVES American Home Products Corporation (US) 2002-02-27 EP disclosed
EP-1175398-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS American Home Products Corporation (US) 2002-01-30 EP disclosed
EP-1173212-A1 CONTRACEPTIVE COMPOSITIONS CONTANING INDOLONE DERIVATIVES AND PROGESTATIONAL AGENTS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066555-A1 THIO-OXINDOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (4 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-20130012702-A1 PURIFICATION OF PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC1, GNRHR PGR 1/4885PDE4A 614/4885PDE4B 805/4885
US-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS PGR 3377/4885PDE4A 752/4885PDE4B 987/4885
US-20020068735-A1 Cyanopyrroles PGR, NR3C2, GNRHR PGR 1/4885PDE4A 1641/4885PDE4B 1613/4885
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS PGR 3377/4885PDE4A 752/4885PDE4B 987/4885

“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.