SCHEMBL2355874

SCHEMBL2355874

CCN(CCc1ccccc1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.60
OPRM1 P35372 3/20 0.57
OPRD1 P41143 3/20 0.57
OPRK1 P41145 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.48
SLC18A3 Q16572 1/20 0.48
AOC3 Q16853 1/20 0.47
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44

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
Hydrochloric Acid SCHEMBL9315866 0.98 GRIN2B (0.59) GRIN2BOPRM1OPRD1OPRK1L3MBTL1
SCHEMBL2354359 0.90 GRIN2B (0.62) GRIN2BOPRM1OPRD1OPRK1L3MBTL1
SCHEMBL4692444 0.84 OPRM1 (0.51) GRIN2BOPRM1OPRD1OPRK1L3MBTL1
SCHEMBL27544724 0.84 GRIN2B (0.58) GRIN2BOPRM1OPRD1OPRK1MEN1
SCHEMBL10700575 0.83 OPRM1 (0.61) GRIN2BOPRM1OPRD1OPRK1L3MBTL1
SCHEMBL9455273 0.83 GRIN2B (0.58) GRIN2BL3MBTL1MEN1KMT2ARAB9A
SCHEMBL11440086 0.81 KCNH2 (0.50) GRIN2BOPRM1OPRD1OPRK1L3MBTL1
SCHEMBL10697937 0.81 OPRM1 (0.63) GRIN2BOPRM1OPRD1OPRK1L3MBTL1
Hydrochloric Acid SCHEMBL9454768 0.81 GRIN2B (0.57) GRIN2BL3MBTL1MEN1KMT2ARAB9A
SCHEMBL3375958 0.81 GRIN2B (0.60) GRIN2BL3MBTL1MEN1KMT2ARAB9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256698-A Binding neurotransmitters UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-10-26 US claimed
EP-0540576-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-12 EP claimed
WO-1992001449-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-02-06 WO claimed
US-20110257225-A1 CYCLOHEXYLAMINE DERIVATIVE CONTAINING PHENYL GROUP, AND THERAPEUTIC AGENT FOR DISEASES ACCOMPANIED BY CENTRAL NERVOUS SYSTEM DISORDERS M'S SCIENCE CORPORATION (JP) 2011-10-20 US disclosed
CN-102197017-A Phenyl-containing cyclohexylamine derivatives and remedies for central nervous system disorder-associated diseases MS SCIENCE CORP 2011-09-21 CN disclosed
EP-2357165-A1 CYCLOHEXYLAMINE DERIVATIVE CONTAINING PHENYL GROUP, AND THERAPEUTIC AGENT FOR DISEASES ACCOMPANIED BY CENTRAL NERVOUS SYSTEM DISORDERS M's Science Corporation (JP) 2011-08-17 EP disclosed
WO-1994016685-A1 OPHTHALMIC USES OF SIGNA AGONISTS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1994-08-04 WO disclosed
US-5256698-A Binding neurotransmitters UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-10-26 US disclosed
US-5256698-A Binding neurotransmitters UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-10-26 US disclosed
EP-0540576-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-12 EP disclosed
EP-0540576-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1993-05-12 EP disclosed
WO-1992001449-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-02-06 WO disclosed
WO-1992001449-A1 PSYCHOACTIVE DRUG AND TREATMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1992-02-06 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 (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-20110257225-A1 CYCLOHEXYLAMINE DERIVATIVE CONTAINING PHENYL GROUP, AND THERAPEUTIC AGENT FOR DISEASES ACCOMPANIED BY CENTRAL NERVOUS SYSTEM DISORDERS SIGMAR1, OPRM1, OPRK1 GRIN2B 41/4885OPRM1 2/4885OPRD1 5/4885

“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.