SCHEMBL4076979

SCHEMBL4076979

CC(=O)NCc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.42
MCHR1 Q99705 1/20 0.42
HTR2C P28335 5/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 3/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
CCR3 P51677 1/20 0.40
OPRM1 P35372 1/20 0.39
DRD2 P14416 3/20 0.38
HRH1 P35367 2/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4076983 1.00 CACNA1G (0.42) CACNA1GMCHR1HTR2CHTR2AHTR2B
SCHEMBL5871268 0.90 HTR1A (0.45) HTR2CHTR2AHTR1AHTR1DHTR1B
SCHEMBL5871353 0.87 HTR1A (0.51) CACNA1GMCHR1HTR2CHTR2AHTR2B
SCHEMBL5871542 0.86 CACNA1G (0.45) CACNA1GMCHR1HTR2CHTR2AHTR2B
SCHEMBL5871576 0.85 MCHR1 (0.42) CACNA1GMCHR1HTR1AHTR1DHTR1B
SCHEMBL5871652 0.85 SCD (0.45) MCHR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871468 0.84 SIGMAR1 (0.44) CACNA1GHTR2CHTR2AHTR2BHTR1A
SCHEMBL5871355 0.84 HTR1A (0.49) CACNA1GHTR2CHTR2AHTR2BHTR1A
SCHEMBL5871038 0.83 HTR2A (0.44) MCHR1HTR2CHTR2AHTR2BHTR1A
SCHEMBL5871263 0.83 MCHR1 (0.43) CACNA1GMCHR1HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US claimed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US 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-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US disclosed
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
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 (3 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 CACNA1G 163/4885MCHR1 325/4885HTR2C 222/4885
US-20080027039-A1 Method for treating a motor neuron disease SMN1; SMN2, NLN, SLC18A2 CACNA1G 272/4885MCHR1 89/4885HTR2C 95/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 CACNA1G 118/4885MCHR1 588/4885HTR2C 107/4885

“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.