SCHEMBL4882103

SCHEMBL4882103

Clc1ccc2c(C3CCNCC3)cn(Cc3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.50
HTR1A P08908 2/20 0.50
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
KCNH2 Q12809 1/20 0.46
MAOB P27338 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
SMO Q99835 1/20 0.44
KCNA3 P22001 5/20 0.43
GABRA1 P14867 3/20 0.43
GABRB2 P47870 3/20 0.43
KLK7 P49862 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL14280694 0.86 SMO (0.55) HTR6HTR1ACNR2SMOGABRA1
SCHEMBL22491533 0.86 HTR6 (0.54) HTR6HTR1AMAOBSMOKLK7
SCHEMBL30149780 0.83 KCNH2 (0.47) HTR6KCNH2MAOBOPRM1OPRK1
SCHEMBL14280679 0.79 CNR1 (0.48) HTR6CNR1CNR2OPRM1OPRK1
SCHEMBL25322972 0.79 KCNA3 (0.44) CNR1CNR2KCNA3KLK7
SCHEMBL14280676 0.77 OPRM1 (0.52) HTR6CNR1CNR2OPRM1OPRK1
SCHEMBL4767295 0.77 HTR1A (0.47) HTR6HTR1ACNR1CNR2KCNH2
SCHEMBL22773345 0.77 APP (0.62) HTR6HTR1AKCNH2SLC6A2SLC6A4
SCHEMBL29734609 0.77 APP (0.62) HTR6HTR1AKCNH2SLC6A2SLC6A4
SCHEMBL5344809 0.77 SMO (0.49) HTR6CNR1CNR2SMOGABRA1

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
EP-1945213-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-23 EP 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 HTR6 139/4885HTR1A 19/4885CNR1 10/4885

“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.