SCHEMBL504355

SCHEMBL504355

CN1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.70
KMT2A Q03164 1/20 0.63
OPRD1 P41143 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58

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 SCHEMBL3595890 0.98 OPRM1 (0.73) OPRM1KMT2AOPRD1
SCHEMBL2227341 0.86 KMT2A (0.64) OPRM1KMT2AOPRD1
SCHEMBL1285120 0.84 OPRM1 (0.68) OPRM1KMT2AOPRD1
SCHEMBL4657165 0.82 OPRM1 (0.71) OPRM1KMT2A
SCHEMBL3157118 0.82 OPRM1 (0.97) OPRM1KMT2A
SCHEMBL1284714 0.82 OPRM1 (0.71) OPRM1KMT2A
SCHEMBL3321621 0.82 OPRM1 (0.66) OPRM1KMT2A
SCHEMBL5166604 0.82 OPRM1 (0.97) OPRM1KMT2A
SCHEMBL1284273 0.82 OPRM1 (0.71) OPRM1KMT2AOPRD1
SCHEMBL432561 0.82 OPRM1 (0.59) OPRM1KMT2AOPRD1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105349593-B A kind of preparation method of pethidine hydrochloride 浙江汇能生物股份有限公司 2019-01-25 CN claimed
US-9249159-B2 Composition for treating hepatitis C virus, regulating phosphorylation of replicase INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-02-02 US claimed
WO-2014153099-A2 METHOD FOR USING EXHALED BREATH TO DETERMINE THE PRESENCE OF DRUG Pulmonary Analytics (US) 2014-09-25 WO claimed
US-20140288454-A1 Method For Using Exhaled Breath to Determine the Presence of Drug Pulmonary Analytics (US) 2014-09-25 US claimed
US-20140219960-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2014-08-07 US claimed
EP-1385421-A4 IDENTIFICATION, DIAGNOSIS, AND TREATMENT OF NEUROPATHOLOGIES, NEUROTOXICITIES, TUMORS, AND BRAIN AND SPINAL CORD INJURIES USING MICROELECTRODES WITH MICROVOLTAMMETRY UNIV CITY (US) 2007-01-24 EP claimed
US-7112319-B2 Identification, diagnosis, and treatment of neuropathologies, neurotoxicities, tumors, and brain and spinal cord injuries using microelectrodes with microvoltammetry THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2006-09-26 US claimed
EP-1385421-A2 IDENTIFICATION, DIAGNOSIS, AND TREATMENT OF NEUROPATHOLOGIES, NEUROTOXICITIES, TUMORS, AND BRAIN AND SPINAL CORD INJURIES USING MICROELECTRODES WITH MICROVOLTAMMETRY The Research Foundation Of the City university of New York (US) 2004-02-04 EP claimed
CN-1119322-C Process for alkylation of alkyl- or benzylcyanogen derivatives in presence of trialkylamines or -phosphines AVENTIS PHARMACEUTICALS GERMAN (DE) 2003-08-27 CN claimed
EP-0924196-B1 Process for the alkylation of alkyl- or benzonitrile in the presence of trialkyl amines or phosphines AVENTIS PHARMA GMBH (DE) 2003-06-18 EP claimed
US-20030032001-A1 Identification, diagnosis, and treatment of neuropathologies, neurotoxicities, tumors, and brain and spinal cord injuries using microelectrodes with microvoltammetry RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK, THE 2003-02-13 US claimed
WO-2002082970-A2 DIAGNOSIS AND TREATMENT OF NEURAL DISEASE AND INJURY USING MICROVOLTAMMETRY THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2002-10-24 WO claimed
US-6143896-A ALKYLATION OF NITRILE COMPOUND WITH SUBSTITUTED OR UNSUBSTITUTED ALKYL HALIDE OR DIALKYLSULFATE IN PRESENCE OF TRIALKYLOR ARYL AMINE OR PHOSPHINE COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-07 US claimed
CN-1222505-A Process for alkylation of alkyl- or benzylcyanogen derivatives in presence of trialkylamines or -phosphines HOECHST MARION ROUSSEL DE GMBH (DE) 1999-07-14 CN claimed
EP-0924196-A1 Process for the alkylation of alkyl- or benzonitrile in the presence of trialkyl amines or phosphines Hoechst Marion Roussel Deutschland GmbH (DE) 1999-06-23 EP claimed
WO-2025123013-A1 COMPOSITIONS FOR TREATING ADDICTION, DEPENDENCE, WITHDRAWAL, AND/OR OPIOID INDUCED HYPERALGESIA CASE WESTERN RESERVE UNIVERSITY (US) 2025-06-12 WO disclosed
US-20250009706-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY 2025-01-09 US disclosed
US-4066764-A 1,4-Dihydro-2H-isoquinoline derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-03 US disclosed
US-4049655-A 1,4-Dihydro-2H-isoquinoline derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-3980655-A Basically substituted 1,4-dihydro-2H-isoquinoline derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1976-09-14 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 (2 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-20140219960-A1 NOVEL COMPOSITION FOR PREVENTING OR TREATING HEPATITIS C VIRUS, REGULATING PHOSPHORYLATION OF REPLICASE PRKCA, EIF2AK2, PRKCB OPRM1 3748/4885KMT2A 2757/4885OPRD1 3129/4885
US-20250009706-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL OPRM1, OPRK1, OPRD1 OPRM1 1/4885KMT2A 1352/4885OPRD1 3/4885

“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.