SCHEMBL5871677

SCHEMBL5871677

c1cncc(CCN2CCC(N3CCc4ccccc43)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
HRH1 P35367 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL5871911 0.87 TDP1 (0.49) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL5871299 0.86 ACHE (0.54) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL5871338 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL5871584 0.81 HTR1A (0.44) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL5871959 0.80 SCD (0.44) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL5871257 0.80 SIGMAR1 (0.41) DRD2DRD4
SCHEMBL5871297 0.80 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL5871000 0.80 DRD3 (0.47) DRD2HRH1HTR6
SCHEMBL5871791 0.80 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL5871127 0.80 SIGMAR1 (0.49) OPRM1OPRD1OPRK1OPRL1DRD2

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
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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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 HRH3 510/4885FNTA 4351/4885FNTB 4150/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HRH3 373/4885FNTA 4394/4885FNTB 3424/4885

“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.