SCHEMBL4158021

SCHEMBL4158021

N#Cc1cc[c]c(-c2ccoc2)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 1/20 0.33
CHEK1 O14757 1/20 0.32
LRRK2 Q5S007 7/20 0.32
CYP2A6 P11509 1/20 0.32

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
SCHEMBL9739115 0.77 MMP3 (0.42) CYP2A6
SCHEMBL7526479 0.75 TSHR (0.43) ADORA2AADORA1
SCHEMBL11007233 0.74 CLK4 (0.49) ADORA2AADORA1
SCHEMBL10846367 0.74 PARP1 (0.36)
SCHEMBL10855091 0.74 CSNK2A1 (0.35) ADORA1
SCHEMBL15818998 0.72 MAOA (0.39)
SCHEMBL7194431 0.72 ALDH1A1 (0.47) CYP2A6
SCHEMBL9634014 0.72 MMP3 (0.52)
SCHEMBL1978737 0.72 APP (0.41)
SCHEMBL28312706 0.72 ADORA2A (0.39) ADORA2AADORA1CHEK1LRRK2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2009-04-30 US claimed
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2004-09-23 US claimed
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 claimed
US-20030216388-A1 Cyclocarbamate derivatives as progesterone receptor modulators WYETH 2003-11-20 US claimed
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 claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030216388-A1 Cyclocarbamate derivatives as progesterone receptor modulators NR3C2, NR5A1, PGR ADORA2A 777/4885ADORA1 517/4885CHEK1 2931/4885
US-20040186101-A1 Cyclocarbamate derivatives as progesterone receptor modulators PGR, NR3C2, NR5A1 ADORA2A 731/4885ADORA1 487/4885CHEK1 2818/4885
US-20090111802-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS PGR, NR5A1, NR3C1 ADORA2A 1034/4885ADORA1 789/4885CHEK1 1742/4885

“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.