SCHEMBL5871906

SCHEMBL5871906

NC(=O)c1ccc(CCN2CCC(N3CCc4ccccc43)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 1/20 0.46
HTR2A P28223 3/20 0.44
GAA P10253 1/20 0.44
DRD3 P35462 3/20 0.44
HTR7 P34969 2/20 0.43
HTR2C P28335 1/20 0.43
HTR6 P50406 1/20 0.43
MAOB P27338 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL5871370 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1HTR2ADRD3
SCHEMBL5871127 0.85 SIGMAR1 (0.49) OPRM1OPRD1OPRK1DRD3HTR2C
SCHEMBL5871297 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1
SCHEMBL5871579 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1DRD3DRD2
SCHEMBL5871392 0.85 OPRM1 (0.45) OPRM1OPRD1OPRK1DRD3DRD2
SCHEMBL5871299 0.84 ACHE (0.54) OPRM1OPRD1OPRK1HTR2ADRD3
SCHEMBL5870912 0.83 HTR1A (0.53) HTR2AHTR7HTR2CHTR6HTR1A
SCHEMBL5871791 0.82 OPRM1 (0.45) OPRM1OPRD1OPRK1HTR2ADRD3
SCHEMBL5871000 0.82 DRD3 (0.47) HTR2ADRD3HTR7HTR2CHTR6
SCHEMBL5871489 0.82 L3MBTL1 (0.48) MEN1KMT2AOPRM1OPRD1OPRK1

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 MEN1 424/4885KMT2A 1128/4885OPRM1 471/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MEN1 574/4885KMT2A 1347/4885OPRM1 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.