SCHEMBL5871066

SCHEMBL5871066

CC(=O)Nc1ccc(CC(C)N2CCC(n3ccc4ccccc43)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
DRD2 P14416 1/20 0.45
SLC6A4 P31645 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
CALCRL Q16602 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
KDM4E B2RXH2 1/20 0.39
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38

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
SCHEMBL5871389 0.76 AVPR1A (0.45) OPRM1OPRD1OPRK1OPRL1MEN1
SCHEMBL3257479 0.72 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL30656399 0.72 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL27513189 0.70 DRD2 (0.45) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL4076932 0.70 HTR1A (0.39) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL5871062 0.69 DRD2 (0.58) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL28189418 0.67 DRD2 (0.65) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL5871676 0.67 HTR1A (0.62) DRD2SLC6A4ALDH1A1HTR1AHTR1D
SCHEMBL23722009 0.67 DRD2 (0.56) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL5871922 0.66 GRIN1 (0.47) OPRM1OPRD1OPRK1OPRL1MEN1

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 471/4885OPRD1 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.