SCHEMBL2783286

SCHEMBL2783286

Clc1ccc2[nH]cc(C3CCCNC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.54
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
IDO1 P14902 2/20 0.47
HTR1A P08908 1/20 0.44
APP P05067 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
CSF1R P07333 1/20 0.43
BTK Q06187 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNK O75909 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
HTR2C P28335 2/20 0.43
HTR2A P28223 2/20 0.43
HTR3A P46098 1/20 0.43

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
SCHEMBL31328282 0.92 SLC6A4 (0.56) SLC6A4OPRM1OPRK1OPRL1IDO1
SCHEMBL18474132 0.84 SLC6A4 (0.60) SLC6A4OPRM1OPRK1OPRL1IDO1
SCHEMBL3546634 0.83 CYP1A2 (0.58) SLC6A4APPIKBKBCHUKCSF1R
SCHEMBL2781869 0.83 SLC6A4 (0.56) SLC6A4OPRM1OPRK1OPRL1HTR1A
SCHEMBL2781047 0.82 HTR2C (0.62) SLC6A4OPRM1OPRK1OPRL1IDO1
Hydrochloric Acid SCHEMBL893002 0.81 HTR2C (0.63) SLC6A4OPRM1OPRK1OPRL1IDO1
SCHEMBL2777939 0.80 MTNR1A (0.58) SLC6A4IDO1HTR1AHTR2CHTR2A
SCHEMBL30834214 0.80 HTR2C (0.67) IKBKBCHUKCSF1RBTKHTR2C
SCHEMBL2779855 0.80 HTR2C (0.67) IKBKBCHUKCSF1RBTKHTR2C
Hydrochloric Acid SCHEMBL18441075 0.79 MTNR1A (0.57) SLC6A4IDO1HTR1AHTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759385-B2 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2010-07-20 US disclosed
EP-1560823-B1 4-SUBSTITUTED 1-AMINOCYCLOHEXANE DERIVATIVES FOR UTILIZATION AS ORL1-RECEPTOR AND MU-OPIATE RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2008-07-09 EP disclosed
US-20050277674-A1 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands GRUENENTHAL GMBH (DE) 2005-12-15 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 (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-20050277674-A1 4-substituted 1-aminocyclohexane compounds for utilization as ORL1-receptor and mu-opiate receptor ligands OPRL1, OPRM1, OGFRL1 SLC6A4 1068/4885OPRM1 2/4885OPRK1 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.