SCHEMBL467155

SCHEMBL467155

CN1CCN(CCc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 1.00
CYP1A2 P05177 3/20 1.00
CYP2D6 P10635 3/20 1.00
TMEM97 Q5BJF2 1/20 1.00
TP53 P04637 2/20 0.60
TSHR P16473 2/20 0.60
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
CYP3A4 P08684 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 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
SCHEMBL29472420 1.00 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97TP53
Hydrochloric Acid SCHEMBL2727622 0.98 SIGMAR1 (0.97) SIGMAR1CYP1A2CYP2D6TMEM97TP53
Hydrochloric Acid SCHEMBL30570469 0.98 SIGMAR1 (0.97) SIGMAR1CYP1A2CYP2D6TMEM97TP53
SCHEMBL7528803 0.88 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97TP53
SCHEMBL7529966 0.85 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL5804316 0.84 SIGMAR1 (0.93) SIGMAR1CYP1A2CYP2D6TMEM97TP53
SCHEMBL13202506 0.84 SIGMAR1 (0.73) SIGMAR1CYP1A2CYP2D6TMEM97
SCHEMBL4173183 0.82 SIGMAR1 (0.78) SIGMAR1CYP1A2CYP2D6TMEM97CYP3A4
SCHEMBL2291008 0.81 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP2D6TMEM97
Bromide SCHEMBL4168906 0.81 SIGMAR1 (0.76) SIGMAR1CYP1A2CYP2D6TMEM97CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180256720-A1 COMPOSITIONS AND METHODS FOR TREATING HIV-ASSOCIATED NEUROCOGNITIVE DISORDERS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-09-13 US claimed
EP-1781272-B1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA ESTEVE LABOR DR (ES) 2017-09-06 EP claimed
WO-2010015040-A1 THERAPY AND PREVENTION OF TDP-43 PROTEINOPATHY POWMRI LTD (AU) 2010-02-11 WO claimed
US-20090042898-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-02-12 US claimed
CN-1988896-A Use of compounds active on the sigma receptor for the treatment of mechanical allodynia ESTEVE LABOR DR (ES) 2007-06-27 CN claimed
EP-1787679-A1 Use of compounds binding to the sigma receptor for the treatment of diabetes-associated pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-23 EP claimed
EP-1781272-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-09 EP claimed
WO-2006027223-A1 USE OF PIPERAZINE DERIVATIVES AND ANALOGUES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-16 WO claimed
EP-1634598-A1 Use of piperazine derivatives and analogues for the manufacture of a medicament for the prophylaxis and/or treatment of disorders of food ingestion LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-15 EP claimed
WO-2006010587-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-02 WO claimed
WO-2025031979-A1 USE OF RIMCAZOLE TO TREAT CANCER KYREXA LTD (GB) 2025-02-13 WO disclosed
WO-2022062991-A1 INDOLE DERIVATIVES AND USE THEREOF 苏州恩华生物医药科技有限公司 2022-03-31 WO disclosed
US-20220031706-A1 TRPC ION CHANNEL INHIBITORS FOR USE IN THERAPY UNIVERSITY OF LEEDS (GB) 2022-02-03 US disclosed
EP-3308782-B1 SIGMA-RECEPTOR BINDING AGENT TOYAMA CHEMICAL CO LTD (JP) 2022-01-19 EP disclosed
US-20210379016-A1 THERAPEUTICS AND METHODS OF TREATMENT OF ANGIOTENSIN-CONVERTING ENZYME 2 ASSOCIATED CONDITIONS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2021-12-09 US disclosed
WO-2006010587-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECHANICAL ALLODYNIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-02-02 WO disclosed
WO-2005079767-A2 MEANS FOR MODULATION OF THE EFFECTS OF OPIOID-LIKE SUBSTANCES Universitätsklinikum Münster (DE) 2005-09-01 WO disclosed
US-20040019060-A1 Sigma receptor ligands and their medical uses SPRUCE BARBARA ANN (GB) 2004-01-29 US disclosed
EP-1267875-A1 SIGMA RECEPTOR LIGANDS AND THEIR MEDICAL USES Spruce, Barbara (GB) 2003-01-02 EP disclosed
WO-2001074359-A1 SIGMA RECEPTOR LIGANDS AND THEIR MEDICAL USES SPRUCE BARBARA (GB) 2001-10-11 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 (4 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-20040019060-A1 Sigma receptor ligands and their medical uses TMEM97, SIGMAR1, GPR119 SIGMAR1 2/4885CYP1A2 451/4885CYP2D6 1025/4885
US-20210379016-A1 THERAPEUTICS AND METHODS OF TREATMENT OF ANGIOTENSIN-CONVERTING ENZYME 2 ASSOCIATED CONDITIONS ACE2, ACE, AGTR2 SIGMAR1 10/4885CYP1A2 67/4885CYP2D6 79/4885
US-20090042898-A1 USE OF COMPOUNDS ACTIVE ON THE SIGMA RECEPTOR FOR THE TREATMENT OF MECANICAL ALLODYNIA OPRM1, OPRL1, OPRK1 SIGMAR1 4/4885CYP1A2 3407/4885CYP2D6 3345/4885
US-20220031706-A1 TRPC ION CHANNEL INHIBITORS FOR USE IN THERAPY TRPC1, TRPC7, TRPC4 SIGMAR1 1765/4885CYP1A2 1875/4885CYP2D6 3244/4885

“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.