SCHEMBL5871359

SCHEMBL5871359

CC(=O)Nc1ccc2c(c1)N(C1CCN(CCCc3ccc(F)cc3)CC1)C(C)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 1/20 0.49
CCR3 P51677 10/20 0.43
MCHR1 Q99705 3/20 0.42
HTR1A P08908 3/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 2/20 0.40
HTR7 P34969 1/20 0.40
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5871581 0.97 HTR2A (0.48) HTR2AHTR2CHTR2BCCR3MCHR1
SCHEMBL5871360 0.95 HTR2A (0.51) HTR2AHTR2CHTR2BCCR3MCHR1
SCHEMBL5872010 0.88 HTR2A (0.52) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL5871043 0.85 HTR2A (0.51) HTR2AHTR2CHTR2BMCHR1DRD2
SCHEMBL5871547 0.85 HTR2A (0.48) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL5871272 0.85 HTR2A (0.48) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL5871736 0.85 HTR2A (0.43) HTR2AHTR2CHTR2BCCR3MCHR1
SCHEMBL5871473 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BHTR1ADRD2
SCHEMBL5871191 0.82 HTR2C (0.49) HTR2AHTR2CHTR2BCCR3MCHR1
SCHEMBL5871719 0.79 HTR2A (0.54) HTR2AHTR2CHTR2BDRD2DRD4

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 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.