SCHEMBL5872394

SCHEMBL5872394

COc1ccc(CC(C)N2CCC(N3CCc4ccccc43)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
KMT2A Q03164 2/20 0.54
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
SMPD1 P17405 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 2/20 0.40

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) POLBKMT2AOPRM1OPRD1OPRK1
SCHEMBL1868714 0.76 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL5871922 0.74 GRIN1 (0.47) POLBKMT2AOPRM1OPRD1OPRK1
SCHEMBL10411188 0.73 POLB (0.67) POLBKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL5871258 0.70 OPRM1 (0.50) POLBKMT2AOPRM1OPRD1OPRK1
SCHEMBL5872031 0.70 OPRM1 (0.49) POLBKMT2AOPRM1OPRD1OPRK1
SCHEMBL5871794 0.70 OPRM1 (0.46) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL5871516 0.69 SIGMAR1 (0.55) SMN1; SMN2MAPTSMPD1SIGMAR1MAPK1
SCHEMBL2675996 0.69 OPRM1 (0.62) KMT2AOPRM1OPRD1OPRK1OPRL1
SCHEMBL3723794 0.69 OPRM1 (0.65) KMT2AOPRM1OPRD1OPRK1OPRL1

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 10 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
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 POLB 3419/4885KMT2A 1128/4885OPRM1 471/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 POLB 2860/4885KMT2A 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.