SCHEMBL4871619

SCHEMBL4871619

Fc1ccc2c(C3=CCN(C4Cc5cccc6cccc4c56)CC3)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 1.00
OPRM1 P35372 5/20 0.63
OPRK1 P41145 2/20 0.55
TDO2 P48775 1/20 0.51
SLC6A4 P31645 4/20 0.45
HTR2A P28223 3/20 0.45
DRD2 P14416 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GMNN O75496 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45

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
SCHEMBL4877078 0.81 OPRL1 (0.68) OPRL1OPRM1OPRK1SLC6A4OPRD1
SCHEMBL14306837 0.81 OPRL1 (0.68) OPRL1OPRM1OPRK1SLC6A4HTR1A
SCHEMBL14280708 0.78 OPRL1 (0.64) OPRL1OPRM1OPRK1HTR1AHTR1D
SCHEMBL14280690 0.77 OPRL1 (1.00) OPRL1OPRM1OPRK1SLC6A4HTR2A
SCHEMBL14280673 0.71 OPRL1 (1.00) OPRL1OPRM1OPRK1SLC6A4HTR1A
SCHEMBL7865112 0.71 SLC6A4 (0.81) TDO2SLC6A4KDM4ELMNAALOX15
SCHEMBL18324768 0.68 TDO2 (1.00) OPRL1TDO2SLC6A4DRD2HTR1A
SCHEMBL28097370 0.68 TDO2 (0.65) OPRL1TDO2SLC6A4HTR2ADRD2
SCHEMBL14529401 0.67 OPRL1 (0.78) OPRL1OPRM1OPRK1OPRD1
SCHEMBL6976036 0.67 HTR1A (0.63) TDO2SLC6A4HTR2ADRD2KDM4E

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 4 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
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.