SCHEMBL5871827

SCHEMBL5871827

CC(CN1CCC(N2CCc3ccccc32)CC1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
PLD1 Q13393 1/20 0.44
DRD3 P35462 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
SCD O00767 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38

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
SCHEMBL904839 0.80 DRD3 (0.54) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL5872151 0.79 DRD2 (0.50) OPRM1OPRD1OPRK1OPRL1DRD3
Fluorobenzene SCHEMBL27493998 0.79 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL5871566 0.79 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL5871383 0.79 DRD3 (0.51) DRD3GAAKDM4E
SCHEMBL5871251 0.77 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL5871000 0.77 DRD3 (0.47) DRD3HTR1AHTR2CHTR2B
SCHEMBL5870957 0.76 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL5871570 0.75 CCR3 (0.55) DRD3HTR1AKDM4EHTR2B
Fluorobenzene SCHEMBL27495584 0.75 DRD3 (0.47) OPRM1OPRD1OPRK1OPRL1DRD3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP 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 (2 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-20020019531-A1 Indoles INMT, MUSK, MB OPRM1 471/4885OPRD1 202/4885OPRK1 506/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 OPRM1 340/4885OPRD1 88/4885OPRK1 266/4885

“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.