SCHEMBL3243793

SCHEMBL3243793

Cc1cccc2c1[nH]c(=O)n2C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.53
DAO P14920 1/20 0.51
CHRM1 P11229 4/20 0.48
OPRM1 P35372 6/20 0.46
HTR2C P28335 5/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
DRD2 P14416 1/20 0.42
CHRM3 P20309 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR2A P28223 2/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL30825657 0.86 OPRM1 (0.46) HSD11B1CHRM1OPRM1CHRM2CHRM4
SCHEMBL16455961 0.86 HSD11B1 (0.53) HSD11B1DAOCHRM1OPRM1HTR2C
SCHEMBL5400539 0.83 DAO (0.54) HSD11B1DAOCHRM1OPRM1HTR2C
SCHEMBL28505346 0.83 OPRM1 (0.47) HSD11B1CHRM1OPRM1CHRM2CHRM4
SCHEMBL30870578 0.83 OPRM1 (0.44) HSD11B1CHRM1OPRM1CHRM2CHRM4
SCHEMBL4306275 0.83 CHRM1 (0.57) HSD11B1DAOCHRM1OPRM1DRD2
SCHEMBL3243652 0.83 OPRM1 (0.62) CHRM1OPRM1HTR2CDRD2HTR2A
Bromide SCHEMBL8857833 0.82 PDE7A (0.40) HSD11B1DAOCHRM1HTR2CHTR2A
SCHEMBL16455917 0.82 HSD11B1 (0.50) HSD11B1DAOCHRM1OPRM1HTR2C
SCHEMBL5388279 0.82 DAO (0.55) HSD11B1DAOOPRM1HTR2CDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2025-06-24 US disclosed
US-20240287020-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2024-08-29 US disclosed
US-11970474-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2024-04-30 US disclosed
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN disclosed
US-20230355678-A1 METHODS FOR IMPROVING T CELL EFFICACY Immatics US, Inc. 2023-11-09 US disclosed
CN-112074511-A Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2020-12-11 CN disclosed
EP-1615914-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
US-7205292-B2 Piperidines containing a lactam ring and a quinolinone, benzimidazolone, quinazolinone or benzodiazepinone group, e.g. N-[3R,7R)-1-(Cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3 (2H-yl)piperidine-1-carboxamide; treating headaches, migraine headaches and cluster headaches MERCK & CO., INC. (US) 2007-04-17 US disclosed
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 US disclosed
US-20060194783-A1 Cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-08-31 US disclosed
US-20040147506-A1 Benzimidazolone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 US disclosed
EP-1386920-A1 BENZIMIDAZOLONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-02-04 EP disclosed
US-5760054-A BENIGN PROSTATIC HYPERTROPHY MERCK & CO., INC. (US) 1998-06-02 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 (6 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-20040147506-A1 Benzimidazolone derivatives HRH2, CCKAR, HRH4 HSD11B1 2412/4885DAO 2700/4885CHRM1 4/4885
US-20060194783-A1 Cgrp receptor antagonists BDKRB1, CCKBR, BDKRB2 HSD11B1 3014/4885DAO 2240/4885CHRM1 194/4885
US-11970474-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP4X1, CYP11B2 HSD11B1 256/4885DAO 848/4885CHRM1 816/4885
US-20240287020-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY XDH, CYP11B2, CYP4X1 HSD11B1 240/4885DAO 949/4885CHRM1 556/4885
US-20230355678-A1 METHODS FOR IMPROVING T CELL EFFICACY ICOS, IL2, CD4 HSD11B1 563/4885DAO 3061/4885CHRM1 4845/4885
US-12338226-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP11B2, CYP4X1 HSD11B1 240/4885DAO 949/4885CHRM1 556/4885

“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.