SCHEMBL159131

SCHEMBL159131

C1=CC2(CCNCC2)c2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
HTR2C P28335 3/20 0.42
DRD2 P14416 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SIGMAR1 Q99720 2/20 0.38
OPRM1 P35372 2/20 0.37
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HTR2B P41595 1/20 0.33
BACE1 P56817 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 1/20 0.32
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL18440513 0.87 KDM1A (0.33) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL20978035 0.75 OPRM1 (0.31) HTR2COPRM1
SCHEMBL30085857 0.70 HTR2C (0.49) HTR2CHTR2B
SCHEMBL762110 0.70 HTR2C (0.49) HTR2CHTR2B
SCHEMBL1842831 0.70 HTR2A (0.41) HTR2AHTR2CDRD2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1788453 0.69 HTR2C (0.47) HTR2CHTR2B
SCHEMBL23645651 0.69 AKR1B1 (0.36) TSHRKDM1A
Hydrochloric Acid SCHEMBL3410468 0.69 HTR2A (0.40) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL17767335 0.68 HTR2A (0.42) HTR2AHTR2CDRD2SLC6A2SLC6A4
SCHEMBL7633110 0.67 HTR2A (0.39) HTR2ASIGMAR1TSHRKDM1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576543-B1 PYRAZOLE COMPOUNDS AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2016-12-21 EP disclosed
EP-1994008-B1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2016-08-10 EP disclosed
EP-1996580-B1 PYRRAZOLE DERIVATIVES AS SIGMA RECEPTORS ANTAGONISTS ESTEVE LABOR DR (ES) 2016-03-02 EP disclosed
US-9181195-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-11-10 US disclosed
US-8470867-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-25 US disclosed
US-20130158029-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US disclosed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US disclosed
US-8314096-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-20 US disclosed
US-8293740-B2 Sigma receptor inhibitors LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2012-10-23 US disclosed
EP-1781618-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2012-10-03 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
US-5554752-A SPIRO FUSED PIPERIDINES CAPABLE OF BINDING TO A VESAMICOL RECEPTOR AND HAVING ANTICHOLINERGIC PROPERTIES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1996-09-10 US disclosed
WO-1995009631-A1 SPIROVESAMICOLS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1995-04-13 WO 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
EP-0414289-A1 Spirocyclic antipsychotic agents MERCK SHARP & DOHME LTD. (GB) 1991-02-27 EP 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 (1 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-20130158029-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 HTR2A 39/4885HTR2C 46/4885DRD2 221/4885

“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.