SCHEMBL67163

SCHEMBL67163

CCCC(c1ccccc1)(c1ccccc1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.55
CYP2D6 P10635 7/20 0.44
CHRM2 P08172 5/20 0.44
CHRM1 P11229 5/20 0.44
KCNH2 Q12809 4/20 0.44
HTR1A P08908 3/20 0.44
OPRM1 P35372 3/20 0.44
LMNA P02545 2/20 0.44
CHRM3 P20309 4/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41

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
SCHEMBL2707429 0.85 CYP2B6 (0.58) CYP2B6CYP2D6CHRM2CHRM1KCNH2
SCHEMBL8447048 0.84 CHRM2 (0.42) CYP2B6CHRM2CHRM1LMNACHRM3
SCHEMBL5290364 0.79 CYP2B6 (0.50) CYP2B6CYP2D6CHRM2CHRM1KCNH2
Hydrochloric Acid SCHEMBL7250399 0.78 CYP2B6 (0.50) CYP2B6CYP2D6CHRM2CHRM1KCNH2
SCHEMBL3504516 0.78 CYP2B6 (0.38) CYP2B6MEN1KMT2A
SCHEMBL11542596 0.78 CYP2B6 (0.53) CYP2B6CYP2D6CHRM2CHRM1KCNH2
SCHEMBL5051404 0.76 CYP2B6 (0.50) CYP2B6CYP2D6CHRM2CHRM1KCNH2
SCHEMBL4901870 0.73 CYP2B6 (0.45) CYP2B6CYP2D6CHRM2CHRM1KCNH2
SCHEMBL11666605 0.72 CYP2B6 (0.33) CYP2B6CYP2D6CHRM2CHRM1KCNH2
SCHEMBL5305394 0.72 CYP2B6 (0.55) CYP2B6CYP2D6CHRM2CHRM1KCNH2

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

Appears in 3344 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527754-B2 Methods and compositions for preventing and treating metabolic syndrome induced by antipsychotic treatment and related diseases and conditions TUFTS MEDICAL CENTER, INC. (US) 2026-01-20 US claimed
US-20240277729-A1 METHODS OF TREATMENT AND PHARMACEUTICAL COMPOSITIONS USING AN SGLT-2 INHIBITOR AND A NEUROLEPTIC AGENT BOEHRINGER INGELHEIM INT (DE) 2024-08-22 US claimed
US-20230416782-A1 ENHANCED NANOPARTICLE DELIVERY SYSTEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-12-28 US claimed
EP-4259207-A1 ENHANCED NANOPARTICLE DELIVERY SYSTEMS Children's Hospital Medical Center (US) 2023-10-18 EP claimed
US-20230271142-A1 METHODS OF PREPARING SOLID PARTICULATE MATERIALS MICROPORE TECHNOLOGIES LIMITED (GB) 2023-08-31 US claimed
EP-4188570-A2 METHODS OF PREPARING SOLID PARTICULATE MATERIALS Micropore Technologies Limited (GB) 2023-06-07 EP claimed
WO-2022125784-A1 ENHANCED NANOPARTICLE DELIVERY SYSTEMS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2022-06-16 WO claimed
US-11123311-B2 Methods of treating mental disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US claimed
US-20210228570-A1 COMPOSITIONS AND METHODS FOR OPIOID OVERDOSE RESCUE PURDUE PHARMA LP (US) 2021-07-29 US claimed
US-20210220298-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING METABOLIC SYNDROME INDUCED BY ANTIPSYCHOTIC TREATMENT AND RELATED DISEASES AND CONDITIONS TUFTS MEDICAL CENTER, INC. 2021-07-22 US claimed
US-20020111342-A1 Methods for the inhibition of egg production in trematodes THE INSTITUTE FOR ONEWORLD HEALTH 2002-08-15 US claimed
WO-2002005821-A1 METHODS FOR THE INHIBITION OF EGG PRODUCTION IN TREMATODES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-01-24 WO claimed
WO-2001080837-A2 TRANSDERMAL OR TRANSMUCOSAL DOSAGE FORMS WITH A NICOTINE-CONTAINING ACTIVE SUBSTANCE COMBINATION FOR SMOKER DISINTOXICATION LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2001-11-01 WO claimed
EP-0839026-B1 POLYETHER BLOCK COPOLYMER MICELLAR COMPOSITIONS FOR TARGETING BIOLOGICAL AGENTS SUPRATEK PHARMA INC (CA) 2001-09-26 EP claimed
US-6153193-A A MICELLE COMPRISING AN ANTITUMOR AGENT, A POLYETHER BLOCK COPOLYMER AND A TARGETING MOLECULE COMPRISING A LIPOPHILIC HYDROCARBON MOIETY HAVING 3 TO ABOUT 41 CARBON ATOMS SUPRATEK PHARMA INC. (CA) 2000-11-28 US claimed
US-6100256-A ORALLY ADMINISTERING AN ORALLY ACTIVE, LONG ACTING, CENTRAL NERVOUS SYSTEM-PENETRANT NK-1(NEUROKININ-1, SUBSTANCE P) RECEPTOR ANTAGONIST; FOR PATIENT WHO IS NON-RESPONSIVE TO, OR FOR WHOM ANTIPSYCHOTIC AGENTS ARE CONTRAINDICATED MERCK SHARP & DOHME LTD. (GB) 2000-08-08 US claimed
EP-1005651-A1 METHODS OF IDENTIFYING BIOLOGICAL AGENT COMPOSITIONS SUPRATEK PHARMA, INC. (CA) 2000-06-07 EP claimed
WO-1999008112-A1 METHODS OF IDENTIFYING BIOLOGICAL AGENT COMPOSITIONS SUPRATEK PHARMA INC. (CA) 1999-02-18 WO claimed
EP-0839026-A1 POLYETHER BLOCK COPOLYMER MICELLAR COMPOSITIONS FOR TARGETING BIOLOGICAL AGENTS SUPRATEK PHARMA, INC. (CA) 1998-05-06 EP claimed
WO-1996040056-A1 POLYETHER BLOCK COPOLYMER MICELLAR COMPOSITIONS FOR TARGETING BIOLOGICAL AGENTS SUPRATEK PHARMA INC. (CA) 1996-12-19 WO claimed