SCHEMBL5871815

SCHEMBL5871815

CC(c1cnc(C#N)s1)N1CCC(N2CCc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
OPRL1 P41146 2/20 0.46
OPRD1 P41143 1/20 0.46
SCD O00767 3/20 0.40
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.32
RORC P51449 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL5870930 0.82 OPRM1 (0.47) OPRM1OPRK1OPRL1OPRD1SCD
SCHEMBL5871258 0.75 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1SCD
SCHEMBL5872060 0.73 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1SCD
SCHEMBL5871612 0.73 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1SCD
SCHEMBL5872000 0.72 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1SCD
SCHEMBL5870955 0.68 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1SCD
SCHEMBL2675996 0.68 OPRM1 (0.62) OPRM1OPRK1OPRL1OPRD1SCD
SCHEMBL1868714 0.67 OPRM1 (0.57) OPRM1OPRK1OPRL1OPRD1SCD
SCHEMBL3723794 0.67 OPRM1 (0.65) OPRM1OPRK1OPRL1OPRD1SCD
SCHEMBL8275622 0.66 OPRM1 (0.54) OPRM1OPRK1OPRL1OPRD1SCD

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 11 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
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 471/4885OPRK1 506/4885OPRL1 992/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 OPRM1 340/4885OPRK1 266/4885OPRL1 665/4885

“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.