SCHEMBL5872028

SCHEMBL5872028

Fc1ccccc1CCN1CCC(N2CCc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
DRD3 P35462 3/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTR2C P28335 5/20 0.40
HTR2B P41595 3/20 0.40
MCHR1 Q99705 1/20 0.39
CACNA1G O43497 1/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
KCNH2 Q12809 2/20 0.39
SCD O00767 1/20 0.39

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
SCHEMBL7626528 0.92 DRD3 (0.44) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL5871786 0.88 HTR2A (0.54) DRD3HTR2CDRD2HTR2AKCNH2
SCHEMBL5871400 0.86 MCHR1 (0.40) OPRM1OPRD1OPRK1MAOAMAOB
SCHEMBL5871806 0.84 MCHR1 (0.41) OPRM1OPRD1OPRK1MAOAMAOB
SCHEMBL5871263 0.84 MCHR1 (0.43) OPRM1MAOAMAOBHTR2CHTR2B
SCHEMBL5871652 0.84 SCD (0.45) OPRM1MCHR1SCD
SCHEMBL5870960 0.83 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL5871000 0.82 DRD3 (0.47) DRD3HTR2CHTR2BDRD2HTR2A
SCHEMBL5870983 0.82 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL5871805 0.82 MCHR1 (0.41) OPRM1MAOAMAOBHTR2CHTR2B

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 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.