SCHEMBL12013752

SCHEMBL12013752

CCC1CNc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.42
HTR5A P47898 1/20 0.39
BCHE P06276 1/20 0.37
HTR2B P41595 3/20 0.37
HRH2 P25021 1/20 0.37
OPRM1 P35372 1/20 0.37
PAX8 Q06710 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL1118519 1.00 CCKBR (0.42) CCKBRHTR5ABCHEHTR2BHRH2
SCHEMBL12141050 1.00 CCKBR (0.42) CCKBRHTR5ABCHEHTR2BHRH2
Fluorobenzene SCHEMBL27513190 0.90 CCKBR (0.40) CCKBRHTR5ABCHEHTR2BHRH2
Anisole SCHEMBL27512824 0.87 PAX8 (0.45) CCKBRPAX8
SCHEMBL8261364 0.85 HTR5A (0.41) CCKBRHTR5ABCHEHTR2BHRH2
SCHEMBL7074697 0.82 BCHE (0.48) CCKBRHTR5ABCHE
SCHEMBL6648615 0.81 BCHE (0.50) CCKBRHTR5ABCHEHTR2C
SCHEMBL8523648 0.80 BCHE (0.47) CCKBRHTR5ABCHE
SCHEMBL12956451 0.80 CCKBR (0.38) CCKBRBCHEHTR2BHRH2OPRM1
SCHEMBL1030313 0.80 SLC6A4 (0.40) CCKBRBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225563-A2 SELECTIVE SIGMA-2 RECEPTOR LIGANDS AS MODULATORS OF TMEM97 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-23 WO disclosed
WO-2023163971-A1 METHODS OF TREATING COVID-RELATED DISORDERS ATHIRA PHARMA, INC. (US) 2023-08-31 WO disclosed
EP-3322417-B1 TARGETING EMOPAMIL BINDING PROTEIN (EBP) WITH SMALL MOLECULES THAT INDUCE AN ABNORMAL FEEDBACK RESPONSE BY LOWERING ENDOGENOUS CHOLESTEROL BIOSYNTHESIS UNIV TEXAS (US) 2023-08-23 EP disclosed
WO-2023093834-A1 PYRROLIDINE ANTIVIRAL COMPOUND 先声再明医药有限公司 2023-06-01 WO disclosed
US-20230118205-A1 NOVEL COMPOUNDS (IMMUNORHELINS) ISR IMMUNE SYSTEM REGULATION HOLDING AB PUBL (SE) 2023-04-20 US disclosed
US-11434258-B2 Compounds (immunorhelins) ISR Immune System Regulation Holding AB (SE) 2022-09-06 US disclosed
WO-2022035997-A1 IN VIVO ASSEMBLY OF ASGPR BINDING THERAPEUTICS AVILAR THERAPEUTICS, INC. (US) 2022-02-17 WO disclosed
US-11161848-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2021-11-02 US disclosed
US-11040997-B2 Process for preparing nucleoside prodrugs NuCana plc (GB) 2021-06-22 US disclosed
US-10919882-B2 Compounds for use in synthesis of peptidomimetics THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2021-02-16 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-17 US disclosed
WO-2007053193-A2 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
WO-2007053725-A2 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
US-7176229-B2 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION (US) 2007-02-13 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 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 (8 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-11161848-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 CCKBR 4611/4885HTR5A 2320/4885BCHE 3114/4885
US-20230118205-A1 NOVEL COMPOUNDS (IMMUNORHELINS) GNRHR, FSHR, LHCGR CCKBR 138/4885HTR5A 546/4885BCHE 2459/4885
US-10919882-B2 Compounds for use in synthesis of peptidomimetics DNPEP, NPEPPS, PAM CCKBR 541/4885HTR5A 4021/4885BCHE 605/4885
US-11040997-B2 Process for preparing nucleoside prodrugs PNP, TYMP, SLC29A1 CCKBR 2987/4885HTR5A 4088/4885BCHE 633/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 CCKBR 429/4885HTR5A 74/4885BCHE 832/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR CCKBR 18/4885HTR5A 320/4885BCHE 2976/4885
US-20070111994-A1 Novel 1,4-benzodiazepine-2,5-diones with therapeutic properties BAD, GABRA5, GABRB1 CCKBR 615/4885HTR5A 149/4885BCHE 4315/4885
US-11434258-B2 Compounds (immunorhelins) GNRHR, FSHR, LHCGR CCKBR 96/4885HTR5A 406/4885BCHE 1923/4885

“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.