SCHEMBL5200726

SCHEMBL5200726

Fc1ccc(C(=C2CC[N]CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.42
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
OPRM1 P35372 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
LTA4H P09960 1/20 0.35
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33

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
SCHEMBL9253261 0.79 OPRM1 (0.42) OPRD1CES2CES1OPRM1CA1
SCHEMBL9038594 0.78 HTR2A (0.53) OPRD1CES2CES1DRD2DRD4
SCHEMBL9256713 0.76 OPRM1 (0.48) OPRD1CES2CES1OPRM1CA1
SCHEMBL2539292 0.75 OPRD1 (0.65) OPRD1CES2CES1HTR2AHTR2C
Hydrochloric Acid SCHEMBL2310717 0.73 OPRD1 (0.63) OPRD1CES2CES1OPRM1
Bromide SCHEMBL7444095 0.73 OPRD1 (0.63) OPRD1CES2CES1HTR2AHTR2C
SCHEMBL20622620 0.72 OPRD1 (0.43) OPRD1CES2CES1DRD2DRD4
SCHEMBL9257091 0.71 OPRM1 (0.44) OPRD1CES2CES1HTR2AHTR2B
SCHEMBL21381803 0.70 OPRD1 (0.44) OPRD1CES2CES1OPRM1CA1
SCHEMBL10599177 0.69 OPRD1 (0.58) OPRD1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154996-B1 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO MCNEIL PHARM INC (US) 2003-11-05 EP claimed
US-6573267-B2 Central nervous system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-03 US claimed
US-20020019436-A1 Useful aroyl aminoacyl pyrrole compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-02-14 US claimed
WO-2002002521-A2 AROYL AMINOACYL PYRROLE COMPOUNDS AND THEIR PHARMACEUTICAL USE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-01-10 WO claimed
US-20010044452-A1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain CARSON JOHN R (US) 2001-11-22 US claimed
EP-1154996-A2 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN Ortho-McNeil Pharmaceutical, Inc. (US) 2001-11-21 EP claimed
US-6191142-B1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-02-20 US claimed
WO-2000048584-A2 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-24 WO claimed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US claimed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP claimed
EP-1351950-B1 ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORTHO MCNEIL PHARM INC (US) 2007-08-08 EP disclosed
EP-1154996-B1 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO MCNEIL PHARM INC (US) 2003-11-05 EP disclosed
EP-1351950-A2 ISOINDOLYL AND ISOQUINOLINYL AROYL PYRROLE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-10-15 EP disclosed
US-6573267-B2 Central nervous system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-03 US disclosed
WO-2000048584-A2 AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-08-24 WO disclosed
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 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-20010044452-A1 Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain OPRL1, AADAT, OPRK1 OPRD1 7/4885CES2 1850/4885CES1 3280/4885
US-20020019436-A1 Useful aroyl aminoacyl pyrrole compounds ABAT, GAP43, AADAT OPRD1 41/4885CES2 1624/4885CES1 2191/4885

“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.