SCHEMBL4357757

SCHEMBL4357757

CC#CC(O)(C#CC)c1cc(-c2cccc(Cl)c2)ccc1N

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.68
TAAR1 Q96RJ0 2/20 0.43
ESR2 Q92731 1/20 0.41
ALOX5 P09917 1/20 0.41
MAOB P27338 2/20 0.40
FFAR1 O14842 1/20 0.39
BACE1 P56817 1/20 0.38
JAK2 O60674 1/20 0.37
DHODH Q02127 1/20 0.36
MAP4K4 O95819 3/20 0.36
ALDH1A1 P00352 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
SCHEMBL4352812 0.83 PGR (0.60) PGRTAAR1ESR2ALOX5MAOB
SCHEMBL4357762 0.83 PGR (0.67) PGRTAAR1ESR2ALOX5MAOB
SCHEMBL6770087 0.81 PGR (1.00) PGRTAAR1ESR2ALOX5MAOB
SCHEMBL6013810 0.77 PGR (0.67) PGRTAAR1ESR2ALOX5MAOB
SCHEMBL4367637 0.74 PGR (0.70) PGRTAAR1ESR2ALOX5MAOB
SCHEMBL4540489 0.73 PGR (0.65) PGRTAAR1ESR2ALOX5MAOB
SCHEMBL4360086 0.69 PGR (0.49) PGRTAAR1ESR2ALOX5MAOB
SCHEMBL5844964 0.69 ALOX5 (0.69) PGRTAAR1ESR2ALOX5MAOB
SCHEMBL7969111 0.68 CYP3A4 (0.68) PGRTAAR1ESR2ALOX5MAOB
SCHEMBL31168799 0.68 TAAR1 (0.64) PGRTAAR1ESR2ALOX5MAOB

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
US-7488822-B2 Cyclocarbamate derivatives as progesterone receptor modulators WYETH (US) 2009-02-10 US disclosed
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2004-09-23 US disclosed
EP-1173210-B1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC WYETH CORP (US) 2004-09-15 EP disclosed
US-6713478-B2 SUCH AS 8-BROMO-6-(3-CHLORO-4-FLUOROPHENYL)-4,4-DIMETHYL-1,4-DIHYDRO-2H-3,1 -BENZOXAZIN-2-ONE; PROGESTERONE RECEPTOR ANTAGONISTS WYETH 2004-03-30 US disclosed
US-6566358-B2 1,4-dihydro-benzo(d)oxazin-2-one derivatives useful for treating hormone-dependent neoplastic disease is selected from uterine myometrial fibroids, endometriosis, benign prostatic hypertrophy, carcinomas, and adenocarcinoma WYETH 2003-05-20 US disclosed
US-6444668-B1 IN COMBINATION WITH A PROGESTIN, AN ESTROGEN, OR BOTH; ANTIPROGESTIN IS A 1,4-DIHYDRO-BENZO(D)(1.3)OXAZIN-2-ONE WYETH 2002-09-03 US disclosed
US-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2002-04-25 US disclosed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066164-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC 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 (2 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-20020049204-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C1, NR5A1, CNR1 PGR 5/4885TAAR1 260/4885ESR2 112/4885
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators PGR, NR3C2, NR5A1 PGR 1/4885TAAR1 525/4885ESR2 34/4885

“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.