SCHEMBL5871137

SCHEMBL5871137

N#Cc1ccc(CCN2CCC(N3CCc4ccccc43)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
SCD O00767 1/20 0.38
MEN1 O00255 2/20 0.38
KCNH2 Q12809 5/20 0.37
LTA4H P09960 3/20 0.37
KCNJ1 P48048 1/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL5871697 0.84 KCNH2 (0.55) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL5871959 0.82 SCD (0.44) OPRM1OPRD1OPRK1OPRL1SCD
SCHEMBL5871632 0.81 SCD (0.43) PRMT5WDR77OPRM1OPRD1OPRK1
SCHEMBL5871299 0.79 ACHE (0.54) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5871677 0.79 HRH3 (0.44) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL5871127 0.78 SIGMAR1 (0.49) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5871000 0.78 DRD3 (0.47) HTR2CHTR2B
SCHEMBL5871297 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL5871791 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5871911 0.78 TDP1 (0.49) OPRM1OPRD1OPRK1OPRL1SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP claimed
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
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN 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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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 PRMT5 61/4885WDR77 2770/4885OPRM1 471/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 PRMT5 35/4885WDR77 2833/4885OPRM1 340/4885

“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.