SCHEMBL373567

SCHEMBL373567

O=C(O)C1(c2ccccc2)CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.68
OPRM1 P35372 2/20 0.61
HDAC1 Q13547 1/20 0.52
KMT2A Q03164 2/20 0.50
TET3 O43151 1/20 0.50
FBXL19 Q6PCT2 1/20 0.50
CXXC5 Q7LFL8 1/20 0.50
TET1 Q8NFU7 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
CXXC4 Q9H2H0 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
TACR1 P25103 1/20 0.48
HTR2A P28223 1/20 0.47
HDAC4 P56524 2/20 0.46
HSD11B1 P28845 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.44

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
Ammonia Solution, Strong SCHEMBL3210975 0.98 AKR1C1 (0.66) AKR1C1OPRM1HDAC1KMT2ATET3
Hydrochloric Acid SCHEMBL18281540 0.98 AKR1C1 (0.66) AKR1C1OPRM1HDAC1KMT2ATET3
Hydrochloric Acid SCHEMBL2552731 0.98 AKR1C1 (0.66) AKR1C1OPRM1HDAC1KMT2ATET3
Formamide SCHEMBL27414478 0.90 AKR1C1 (0.56) AKR1C1OPRM1HDAC1KMT2ATET3
SCHEMBL4003991 0.89 AKR1C1 (0.58) AKR1C1OPRM1HDAC1KMT2ATET3
SCHEMBL28066667 0.89 AKR1C1 (0.58) AKR1C1OPRM1HDAC1KMT2ATET3
SCHEMBL31016196 0.85 AKR1C1 (0.83) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL6391 0.85 AKR1C1 (0.83) AKR1C1KMT2ATET3FBXL19CXXC5
SCHEMBL476403 0.85 OPRM1 (0.58) AKR1C1OPRM1HDAC1TACR1HTR2A
SCHEMBL38041 0.85 OPRM1 (0.62) AKR1C1OPRM1HDAC1TACR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600699-B2 Thiosemicarbazates and uses thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2026-04-14 US claimed
US-12351573-B2 Compounds for use in synthesis of peptidomimetics THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2025-07-08 US claimed
CN-118515899-A Acid-doped cross-linked polymer proton exchange membrane material and preparation method thereof 西昌学院 2024-08-20 CN claimed
US-20230111252-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-04-13 US claimed
US-20220372022-A1 COMPOUNDS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2022-11-24 US claimed
EP-2068878-A2 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-06-17 EP claimed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US claimed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US claimed
WO-2008036540-A2 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-03-27 WO claimed
WO-2004063212-A2 ORGANIC COMPOUNDS WITH BIOLOGICAL ACTION AS THROMBIN INHIBITORS AND USE THEROF CPI CREATIVE PHARMA INTERNATIONAL GMBH (DE) 2004-07-29 WO claimed
EP-1425296-A1 ORGANIC COMPOUNDS WITH BIOLOGICAL ACTIVITY AS THROMBIN INHIBITORS AND USE THEREOF Novel Science International Gmbh (DE) 2004-06-09 EP claimed
WO-2003022873-A9 ORGANIC COMPOUNDS WITH BIOLOGICAL ACTIVITY AS THROMBIN INHIBITORS AND USE THEREOF NOVEL SCIENCE INTERNAT GMBH (DE) 2003-12-11 WO claimed
WO-2003074055-A1 PHARMACEUTICAL COMPOSITION OF A PDE4 OR A PDE3/4 INHIBITOR AND A HISTAMINE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-09-12 WO claimed
US-20030092609-A1 Novel antiarrythmic peptides ZEALAND PHARMA A/S (DK) 2003-05-15 US claimed
WO-2003022873-A1 ORGANIC COMPOUNDS WITH BIOLOGICAL ACTIVITY AS THROMBIN INHIBITORS AND USE THEREOF NOVEL SCIENCE INTERNATIONAL GMBH (DE) 2003-03-20 WO claimed
EP-1226160-A2 NOVEL ANTIARRHYTHMIC PEPTIDES Zealand Pharmaceuticals A/S (DK) 2002-07-31 EP claimed
WO-2001062775-A2 NOVEL ANTIARRHYTHMIC PEPTIDES ZEALAND PHARMA A/S (DK) 2001-08-30 WO claimed
US-4045442-A ANTIINFLAMMATORY, ANTIDIARRHEA G. D. SEARLE & CO. (US) 1977-08-30 US claimed
US-4017491-A 1,1-Diaryl-1H-tetrazole amines G. D. SEARLE & CO. (US) 1977-04-12 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 (7 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-12351573-B2 Compounds for use in synthesis of peptidomimetics DNPEP, NPEPPS, PAM AKR1C1 4467/4885OPRM1 1752/4885HDAC1 1680/4885
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B AKR1C1 2208/4885OPRM1 1237/4885HDAC1 1192/4885
US-20230111252-A1 THIOSEMICARBAZATES AND USES THEREOF TST, ABAT, AADAC AKR1C1 2811/4885OPRM1 3052/4885HDAC1 547/4885
US-20220372022-A1 COMPOUNDS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS DNPEP, NPEPPS, PAM AKR1C1 4467/4885OPRM1 1752/4885HDAC1 1680/4885
US-20030092609-A1 Novel antiarrythmic peptides TNNI3, TNNT2, TNNC1 AKR1C1 4445/4885OPRM1 1188/4885HDAC1 4577/4885
US-12600699-B2 Thiosemicarbazates and uses thereof MET, THRB, ABAT AKR1C1 2485/4885OPRM1 780/4885HDAC1 1231/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA AKR1C1 1317/4885OPRM1 1596/4885HDAC1 1768/4885

“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.