SCHEMBL5871006

SCHEMBL5871006

COc1ccc(CCN2CCC(n3ccc4ccc(CNC(C)=O)cc43)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CHRNA7 P36544 1/20 0.43
OPRM1 P35372 2/20 0.43
GSK3B P49841 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
CACNA1G O43497 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
SCHEMBL5871544 0.89 HTR1A (0.50) HTR2AHTR2CHTR2BSMN1; SMN2TSHR
SCHEMBL5871938 0.89 HTR2A (0.47) HTR2AHTR2CHTR2BCHRNA7HRH3
SCHEMBL5871470 0.89 HTR2A (0.47) HTR2AHTR2CHTR2BCHRNA7HRH3
Anisole SCHEMBL27453521 0.86 LMNA (0.42) SMN1; SMN2LMNATSHRMTNR1AMTNR1B
SCHEMBL5871062 0.84 DRD2 (0.58) HTR2AHTR2CHTR2BSIGMAR1OPRM1
SCHEMBL5872025 0.84 CACNA1G (0.45) HTR2AHTR2CHTR2BOPRM1CACNA1G
SCHEMBL4076926 0.84 HTR2A (0.44) HTR2AHTR2CHTR2BSIGMAR1OPRM1
SCHEMBL5871236 0.83 HTR1A (0.48) HTR2AHTR2CHTR2BCACNA1G
SCHEMBL5871367 0.83 HTR1A (0.48) HTR2AHTR2CCHRNA7OPRM1CACNA1G
SCHEMBL5871176 0.83 HTR2A (0.43) HTR2AHTR2CHTR2BLMNATSHR

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 17 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-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP 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
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
CN-1148188-C Analgesics 卫材株式会社 2004-05-05 CN 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
CN-1324239-A Analgesics EISAI CO LTD (JP) 2001-11-28 CN disclosed
EP-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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 HTR2A 209/4885HTR2C 222/4885HTR2B 91/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885HTR2C 107/4885HTR2B 45/4885

“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.