SCHEMBL5871358

SCHEMBL5871358

NCCN1CCC(N2CCc3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
PRMT3 O60678 1/20 0.47
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT1 Q99873 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
DRD3 P35462 3/20 0.46
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CDK4 P11802 1/20 0.44
ALOX15 P16050 1/20 0.44
CCND1 P24385 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 1/20 0.43

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
SCHEMBL14349454 0.88 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL14282272 0.87 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5871370 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5871299 0.83 ACHE (0.54) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5872028 0.81 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5871127 0.81 SIGMAR1 (0.49) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL2675996 0.81 OPRM1 (0.62) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL3723794 0.81 OPRM1 (0.65) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5871791 0.79 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL5871297 0.79 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.