SCHEMBL14280696

SCHEMBL14280696

Clc1cccc2c(C3CCN(CC4CCCCCCC4)CC3)c[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 1.00
OPRM1 P35372 6/20 1.00
OPRK1 P41145 6/20 1.00
SLC6A4 P31645 1/20 0.48
ADRA1D P25100 4/20 0.46
OPRD1 P41143 1/20 0.43
CCR2 P41597 1/20 0.42
ACHE P22303 2/20 0.42
HTR4 Q13639 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL7214363 0.86 OPRL1 (0.76) OPRL1OPRM1OPRK1SLC6A4ADRA1D
Hydrochloric Acid SCHEMBL7868006 0.77 OPRM1 (0.62) OPRL1OPRM1OPRK1SLC6A4ADRA1D
SCHEMBL27780012 0.77 OPRL1 (1.00) OPRL1OPRM1OPRK1CCR2
SCHEMBL14280697 0.77 OPRL1 (1.00) OPRL1OPRM1OPRK1CCR2
SCHEMBL5387561 0.77 OPRM1 (0.62) OPRL1OPRM1OPRK1SLC6A4ADRA1D
SCHEMBL14280695 0.77 OPRM1 (0.65) OPRL1OPRM1OPRK1SLC6A4ACHE
SCHEMBL5387404 0.75 OPRM1 (0.60) OPRL1OPRM1OPRK1SLC6A4ADRA1D
SCHEMBL5384939 0.74 OPRM1 (0.59) OPRL1OPRM1OPRK1SLC6A4ADRA1D
SCHEMBL25290931 0.74 OPRM1 (0.59) OPRL1OPRM1OPRK1SLC6A4DRD2
SCHEMBL27598011 0.74 OPRM1 (0.59) OPRL1OPRM1OPRK1SLC6A4CCR2

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-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 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-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS OGFRL1, OPRL1, ORMDL3 OPRL1 2/4885OPRM1 11/4885OPRK1 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.