SCHEMBL2422050

SCHEMBL2422050

[CH]1CC(c2ccccc2)=CCN1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.50
HTR2C P28335 5/20 0.48
HTR6 P50406 2/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HTR7 P34969 1/20 0.31

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
SCHEMBL13724889 0.79 CYP3A4 (0.39) SIGMAR1HTR2CALDH1A1
SCHEMBL10988298 0.79 SIGMAR1 (0.53) SIGMAR1HTR2CHTR6HTR2AALDH1A1
SCHEMBL893700 0.75
SCHEMBL3458436 0.74 RXRA (0.39) HTR2CALDH1A1
SCHEMBL28559478 0.71 ALDH1A1 (0.53) SIGMAR1HTR2CALDH1A1
SCHEMBL2173351 0.68 SIGMAR1 (0.65) SIGMAR1HTR2CHTR6HTR2AALDH1A1
SCHEMBL415545 0.67 SIGMAR1 (1.00) SIGMAR1HTR2CHTR6HTR2AALDH1A1
Hydrochloric Acid SCHEMBL10354116 0.67 HTR2C (0.67) SIGMAR1HTR2CHTR6HTR2AALDH1A1
SCHEMBL2172089 0.65 SIGMAR1 (0.40) SIGMAR1HTR2CALDH1A1
SCHEMBL14085313 0.65 SIGMAR1 (0.61) SIGMAR1HTR2CHTR6HTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41998-E1 Compositions and methods of treatment of sympathetically maintained pain Arclon Therapeutics, Inc. (US) 2010-12-14 US claimed
EP-1196403-B1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI AVENTIS (FR) 2005-11-09 EP claimed
JP-2003503487-A 2003-01-28 JP claimed
EP-1196403-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES Sanofi-Aventis (FR) 2002-04-17 EP claimed
US-20010034444-A1 Certain bridged 4-phenyl-2-aminomethylimidazoles; new dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2001-10-25 US claimed
US-6211366-B1 PSYCHOLOGICAL, NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-04-03 US claimed
WO-2001002380-A1 ANTIPSYCHOTIC CYCLIC N-ARALKYL AMINES SANOFI-SYNTHELABO (FR) 2001-01-11 WO claimed
US-5789410-A TREATMENT OF SCHIZOPHRENIA, DEPRESSION, PARKINSON'S DISEASE NEUROGEN CORPORATION (US) 1998-08-04 US claimed
US-5773616-A NEUROTROPSYCHOLOGICAL FOR SCHIZOPHRENIA AND ANTIDEPRESSANTS NEUROGEN CORPORATION (US) 1998-06-30 US claimed
US-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US claimed
US-4487774-A Isochromans THE UPJOHN COMPANY (US) 1984-12-11 US claimed
US-4006232-A Therapeutic method of treating cardiac arrhythmias utilizing 3-substituted diphenylhydantoins MILES LABORATORIES, INC. (US) 1977-02-01 US claimed
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed
CN-1898234-A Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORP (US) 2007-01-17 CN disclosed
EP-0160436-A2 N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position A.H. ROBINS COMPANY, INCORPORATED (US) 1985-11-06 EP disclosed
US-4006232-A Therapeutic method of treating cardiac arrhythmias utilizing 3-substituted diphenylhydantoins MILES LABORATORIES, INC. (US) 1977-02-01 US disclosed
US-4006232-A Therapeutic method of treating cardiac arrhythmias utilizing 3-substituted diphenylhydantoins MILES LABORATORIES, INC. (US) 1977-02-01 US disclosed
US-3892748-A 5,5-Diphenyl-3-(piperidino, tetrahydropyridyl-1-and piperazino)-hydantoins MILES LAB 1975-07-01 US 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 SIGMAR1 3327/4885HTR2C 2401/4885HTR6 1891/4885
US-20010034444-A1 Certain bridged 4-phenyl-2-aminomethylimidazoles; new dopamine receptor subtype specific ligands DBH, XDH, DRD2 SIGMAR1 14/4885HTR2C 26/4885HTR6 49/4885

“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.