SCHEMBL5871652

SCHEMBL5871652

OCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.45
MCHR1 Q99705 1/20 0.43
HTR1A P08908 2/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
OPRM1 P35372 1/20 0.38
SLC6A4 P31645 1/20 0.37

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
SCHEMBL5871263 0.90 MCHR1 (0.43) SCDMCHR1HTR1AHTR1DHTR1B
SCHEMBL5871576 0.88 MCHR1 (0.42) MCHR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871805 0.87 MCHR1 (0.41) SCDMCHR1HTR1AHTR1DHTR1B
SCHEMBL5871400 0.85 MCHR1 (0.40) SCDMCHR1HTR1AHTR1DHTR1B
SCHEMBL4076979 0.85 CACNA1G (0.42) MCHR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL4076983 0.85 CACNA1G (0.42) MCHR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871052 0.85 SCD (0.52) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5872028 0.84 OPRM1 (0.45) SCDMCHR1OPRM1
SCHEMBL5871806 0.83 MCHR1 (0.41) SCDMCHR1HTR1AHTR1DHTR1B
Fluorobenzene SCHEMBL27525741 0.79 SCD (0.48) SCDHTR1AHTR1DHTR1BHTR1F

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 8 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
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
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 SCD 2882/4885MCHR1 325/4885HTR1A 17/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 SCD 3282/4885MCHR1 588/4885HTR1A 14/4885

“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.