SCHEMBL14280710

SCHEMBL14280710

c1ccc(Oc2ccc(CN3CCC(c4c[nH]c5ncccc45)CC3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 1.00
OPRL1 P41146 5/20 0.63
OPRK1 P41145 4/20 0.63
DRD4 P21917 3/20 0.53
DRD3 P35462 2/20 0.53
DRD2 P14416 1/20 0.53
HSD11B1 P28845 4/20 0.51
CTSS P25774 3/20 0.51
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
JAK2 O60674 1/20 0.46

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
SCHEMBL14280701 0.78 OPRM1 (1.00) OPRM1OPRL1OPRK1DRD4DRD3
SCHEMBL14280718 0.77 OPRL1 (0.88) OPRM1OPRL1OPRK1DRD4DRD3
SCHEMBL14280697 0.74 OPRL1 (1.00) OPRM1OPRL1OPRK1HSD11B1CTSS
SCHEMBL27780012 0.74 OPRL1 (1.00) OPRM1OPRL1OPRK1HSD11B1CTSS
SCHEMBL31358111 0.74 OPRM1 (0.58) OPRM1OPRL1OPRK1HSD11B1CTSS
SCHEMBL16719380 0.74 OPRL1 (0.64) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL8858021 0.74 DRD4 (0.77) DRD4DRD3DRD2
SCHEMBL17857690 0.73 OPRL1 (0.65) OPRM1OPRL1OPRK1HSD11B1CTSS
SCHEMBL25787927 0.73 OPRL1 (0.65) OPRM1OPRL1OPRK1HSD11B1CTSS
SCHEMBL5216816 0.73 DRD4 (0.83) OPRM1DRD4DRD3DRD2

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 OPRM1 11/4885OPRL1 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.