SCHEMBL38041

SCHEMBL38041

CC(=O)C1(c2ccccc2)CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.62
HDAC1 Q13547 1/20 0.50
AKR1C1 Q04828 1/20 0.48
TACR1 P25103 1/20 0.46
OPRD1 P41143 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HTR2A P28223 1/20 0.44
HDAC4 P56524 2/20 0.43
OPRL1 P41146 1/20 0.42
HSD11B1 P28845 1/20 0.42
ALOX15 P16050 1/20 0.42

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
Hydrochloric Acid SCHEMBL917775 0.98 OPRM1 (0.60) OPRM1HDAC1AKR1C1TACR1OPRD1
Bromide SCHEMBL7744619 0.98 OPRM1 (0.60) OPRM1HDAC1AKR1C1TACR1OPRD1
Hydrochloric Acid SCHEMBL14343450 0.91 OPRM1 (0.54) OPRM1HDAC1AKR1C1TACR1OPRD1
SCHEMBL890180 0.86 AKR1C1 (0.57) OPRM1AKR1C1OPRD1CA12CA1
SCHEMBL373567 0.85 AKR1C1 (0.68) OPRM1HDAC1AKR1C1TACR1HTR2A
SCHEMBL16136733 0.84 OPRM1 (0.49) OPRM1HDAC1HSD11B1
Ammonia Solution, Strong SCHEMBL3210975 0.83 AKR1C1 (0.66) OPRM1HDAC1AKR1C1TACR1HTR2A
Hydrochloric Acid SCHEMBL2552731 0.83 AKR1C1 (0.66) OPRM1HDAC1AKR1C1TACR1HTR2A
Hydrochloric Acid SCHEMBL18281540 0.83 AKR1C1 (0.66) OPRM1HDAC1AKR1C1TACR1HTR2A
SCHEMBL12928712 0.82 AKR1C1 (0.64) AKR1C1OPRD1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853407-B1 Synthesis of 4-aryl 4-acyl piperidine, its salts and analogs using indium metal SAMI LABS LIMITED (IN) 2014-10-07 US claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
CN-101597196-A Improved drug candidate and preparation method thereof BELLUS HEALTH INTERNAT LTD (CH) 2009-12-09 CN claimed
JP-2008521903-A 2008-06-26 JP claimed
CN-101193867-A N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole libraries OSI PHARM INC (US) 2008-06-04 CN claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
CN-1839117-A Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2006-09-27 CN claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP claimed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO claimed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
EP-4126839-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS Dong-A ST Co., Ltd. (KR) 2023-02-08 EP disclosed
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 CN disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 US disclosed
US-4460593-A Carbostyril derivatives, and central nervous system controlling agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-07-17 US disclosed
US-4458075-A ANALGESICS, ANTIPSYCHOTICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1984-07-03 US disclosed
US-4455422-A ANTIHISTAMINES, CNS CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-19 US disclosed
EP-0091512-A2 6-Fluoro-3-(3-(1-heterocyclo)propyl)-1,2-benzisoxazoles, a process for their preparation, pharmaceutical compositions thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-10-19 EP disclosed
US-4321379-A NEUROLEPTIC AGENTS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1982-03-23 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 (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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 OPRM1 3413/4885HDAC1 2748/4885AKR1C1 4597/4885
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 OPRM1 2108/4885HDAC1 1730/4885AKR1C1 793/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K OPRM1 3335/4885HDAC1 388/4885AKR1C1 1136/4885

“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.