SCHEMBL5871848

SCHEMBL5871848

NC(=O)Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4F)CC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 15/20 0.48
HTR2C P28335 14/20 0.48
KCNH2 Q12809 8/20 0.48
DRD2 P14416 4/20 0.48
HTR7 P34969 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
SCD O00767 2/20 0.41

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
SCHEMBL5871456 0.89 HTR1A (0.48) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL5871029 0.85 HTR1A (0.44) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL6620017 0.80 HTR1A (0.45) HTR2AHTR2CKCNH2HTR7HTR1A
SCHEMBL8125811 0.79 HTR2A (0.48) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL5201272 0.78 OPRM1 (0.43) HTR2AKCNH2DRD2HTR7HTR1A
SCHEMBL4081913 0.78 DRD2 (0.43) HTR2AKCNH2DRD2HTR7HTR1A
Oxalic Acid SCHEMBL5870977 0.78 HTR1A (0.43) HTR2AHTR2CKCNH2HTR7HTR1A
SCHEMBL5871055 0.78 HTR2A (0.48) HTR2AHTR2CKCNH2DRD2HTR1A
SCHEMBL5871465 0.78 HTR2A (0.53) HTR2AHTR2CKCNH2DRD2HTR7
SCHEMBL27493996 0.78 DRD2 (0.40) HTR2AHTR2CKCNH2DRD2HTR7

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 222/4885KCNH2 432/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885HTR2C 107/4885KCNH2 309/4885

“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.