SCHEMBL3486153

SCHEMBL3486153

CC(C)N1C(=O)C(I)COc2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 13/20 0.38
NR3C1 P04150 8/20 0.38
PGR P06401 3/20 0.38
CYP19A1 P11511 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NPY5R Q15761 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
DRD2 P14416 1/20 0.32
GRM7 Q14831 1/20 0.32
DAO P14920 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
SCHEMBL3485497 0.84 NR3C2 (0.38) NR3C2NR3C1PGRCYP19A1CHRM5
SCHEMBL1270432 0.75 ALDH1A1 (0.45)
SCHEMBL3484893 0.74 KCNQ2 (0.38) NR3C2NR3C1PGRCHRM5CHRM1
SCHEMBL25883473 0.65 NR3C1 (0.45) NR3C2NR3C1PGRCYP19A1CHRM5
SCHEMBL19418286 0.64 NR3C2 (0.44) NR3C2NR3C1PGRDRD2
SCHEMBL17169807 0.64 RIPK1 (0.40) NR3C2NR3C1PGRNPY5R
SCHEMBL12345879 0.64 XIAP (0.45)
Hydrochloric Acid SCHEMBL2235022 0.63 XIAP (0.44)
SCHEMBL9029862 0.63 NR3C2 (0.56) NR3C2NR3C1PGR
SCHEMBL9029850 0.63 NR3C2 (0.56) NR3C2NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2010-06-10 US disclosed
US-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2010-06-10 US disclosed
US-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2010-06-10 US disclosed
EP-2131657-A1 SUBSTITUTED BENZODIAZEPINONES, BENZOXAZEPINONES AND BENZOTHIAZEPINONES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2009-12-16 EP disclosed
WO-2008106077-A1 SUBSTITUTED BENZODIAZEPINONES, BENZOXAZEPINONES AND BENZOTHIAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-09-04 WO disclosed
WO-2008106077-A1 SUBSTITUTED BENZODIAZEPINONES, BENZOXAZEPINONES AND BENZOTHIAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-09-04 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-20100144715-A1 Substituted Benzodiazepinones, Benzoxazepinones and Benzothiazepinones as Sodium Channel Blockers TRPV1, TRPV4, CACNA1B NR3C2 385/4885NR3C1 581/4885PGR 2389/4885

“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.