SCHEMBL467191

SCHEMBL467191

c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 1.00
TP53 P04637 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
TSHR P16473 2/20 1.00
CYP2C19 P33261 2/20 1.00
DRD2 P14416 1/20 1.00
NFKB1 P19838 1/20 1.00
HTR2A P28223 1/20 1.00
HTR2C P28335 1/20 1.00
MAPK1 P28482 1/20 1.00
HTR2B P41595 1/20 1.00
MTOR P42345 1/20 1.00
MEN1 O00255 1/20 0.97
BLM P54132 1/20 0.97
PMP22 Q01453 1/20 0.97
KMT2A Q03164 1/20 0.97
ALDH1A1 P00352 1/20 0.83
CYP2C9 P11712 1/20 0.83

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
SCHEMBL29802790 1.00 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL29725559 0.99 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL7380092 0.96 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL466954 0.91 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9375315 0.90 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9374722 0.89 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL24481733 0.88 SIGMAR1 (0.78) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9374544 0.86 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9374632 0.86 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9375118 0.85 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414289-B1 Spirocyclic antipsychotic agents MERCK SHARP & DOHME (GB) 1994-02-23 EP claimed
EP-0414289-A1 Spirocyclic antipsychotic agents MERCK SHARP & DOHME LTD. (GB) 1991-02-27 EP claimed
JP-3184959-A None JP disclosed
EP-2600863-B1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA ESTEVE LABOR DR (ES) 2018-03-28 EP disclosed
US-20170097334-A1 SCREEN FOR INHIBITORS OF FILOVIRUS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-06 US disclosed
US-20170097334-A1 SCREEN FOR INHIBITORS OF FILOVIRUS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-06 US disclosed
EP-2646025-B1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN ESTEVE LABOR DR (ES) 2017-03-15 EP disclosed
US-20160115518-A1 SCREEN FOR INHIBITORS OF FILOVIRUS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-28 US disclosed
US-20160115518-A1 SCREEN FOR INHIBITORS OF FILOVIRUS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-28 US disclosed
EP-2531191-B1 Sigma ligands for use in the prevention and/or treatment of postoperative pain ESTEVE LABOR DR (ES) 2016-03-30 EP disclosed
US-9222118-B2 Screen for inhibitors of filovirus and uses therefor WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-12-29 US disclosed
EP-0649407-B1 DIMERIC PIPERIDINE, TETRAHYDROPYRIDINE AND PIPERAZINE DERIVATIVES LUNDBECK & CO AS H (DK) 1998-08-05 EP disclosed
EP-0853085-A1 Piperidine derivatives having anxiolytic effect H. LUNDBECK A/S (DK) 1998-07-15 EP disclosed
US-5684012-A TREATMENT OF PSYCHOLOGICAL AND NEUROLOGICAL DISORDERS H. LUNDBECK A/S (DK) 1997-11-04 US disclosed
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US disclosed
US-5658921-A POTENT SIGMA RECEPTOR LIGANDS; WATER SOLUBILITY; SYMMETRY H. LUNDBECK A/S (DK) 1997-08-19 US disclosed
EP-0414289-B1 Spirocyclic antipsychotic agents MERCK SHARP & DOHME (GB) 1994-02-23 EP disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed
JP-H03184959-A SPIROCYCLIC ANTIPSYCHOTIC AGENTS MERCK SHARP & DOHME LTD 1991-08-12 JP disclosed
EP-0414289-A1 Spirocyclic antipsychotic agents MERCK SHARP & DOHME LTD. (GB) 1991-02-27 EP 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-20160115518-A1 SCREEN FOR INHIBITORS OF FILOVIRUS AND USES THEREFOR ZC3HAV1, WASF2, ZC3HAV1L SIGMAR1 4042/4885TP53 2574/4885CYP1A2 4693/4885
US-20170097334-A1 SCREEN FOR INHIBITORS OF FILOVIRUS AND USES THEREFOR ZC3HAV1, WASF2, ZC3HAV1L SIGMAR1 4042/4885TP53 2574/4885CYP1A2 4693/4885

“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.