SCHEMBL14280715

SCHEMBL14280715

CC(C)(C)C1CCC(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.60
OPRL1 P41146 4/20 0.50
OPRM1 P35372 4/20 0.50
OPRK1 P41145 3/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
CCR2 P41597 5/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 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
SCHEMBL14280711 0.86 OPRL1 (0.64) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL16801704 0.81 KDM4E (0.65) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL3066058 0.81 HSD11B1 (0.65) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL6158491 0.80 HSD11B1 (0.66) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL2267177 0.80 HSD11B1 (0.63) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL21714144 0.79 HSD11B1 (0.52) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL13090626 0.77 HSD11B1 (0.72) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL3062803 0.77 HSD11B1 (0.91) HSD11B1OPRL1OPRM1OPRK1CCR2
SCHEMBL27823059 0.77 HSD11B1 (0.58) HSD11B1OPRL1OPRM1OPRK1
SCHEMBL4059915 0.77 HSD11B1 (0.62) HSD11B1OPRL1OPRM1OPRK1CCR2

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 HSD11B1 1538/4885OPRL1 2/4885OPRM1 11/4885

“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.