SCHEMBL5871209

SCHEMBL5871209

OCc1ccc(OCCCN2CCC(N3CCc4ccccc43)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.54
CACNA1B Q00975 2/20 0.48
CACNA1H O95180 1/20 0.46
ACHE P22303 3/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LTA4H P09960 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTR5A P47898 1/20 0.44

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
SCHEMBL5871181 0.92 HRH3 (0.56) HRH3CACNA1BCACNA1HACHETMEM97
SCHEMBL5871314 0.87 HTR5A (0.60) TMEM97SIGMAR1ALDH1A1LMNAHTR5A
SCHEMBL3576016 0.86 HRH3 (0.64) HRH3ACHE
SCHEMBL5871304 0.86 KCNH2 (0.48) HRH3CACNA1BLTA4H
SCHEMBL5871177 0.84 CACNA1B (0.46) HRH3CACNA1BCACNA1HSIGMAR1KDM4E
SCHEMBL5871579 0.84 OPRM1 (0.45) ACHESIGMAR1
SCHEMBL14349454 0.81 OPRM1 (0.53) ALDH1A1
SCHEMBL5871952 0.80 MAPT (0.58) HRH3CACNA1BCACNA1H
SCHEMBL14282272 0.80 OPRM1 (0.52) ALDH1A1
SCHEMBL5871486 0.79 HRH3 (0.47) HRH3CACNA1BLTA4HKDM4EALDH1A1

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 HRH3 510/4885CACNA1B 195/4885CACNA1H 124/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HRH3 373/4885CACNA1B 116/4885CACNA1H 85/4885

“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.