SCHEMBL5872415

SCHEMBL5872415

NC(=O)Cc1ccc2cc(CC(N)=O)n(C3CCN(CCc4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
HTR2C P28335 3/20 0.47
HTR7 P34969 3/20 0.47
HTR6 P50406 2/20 0.47
OPRM1 P35372 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
GRM2 Q14416 1/20 0.39
CACNA1G O43497 1/20 0.39
TACR2 P21452 1/20 0.39
TACR1 P25103 1/20 0.39
HRH1 P35367 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
SCHEMBL6621318 0.90 HTR2A (0.41) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL5871456 0.83 HTR1A (0.48) HTR2AHTR2CHTR7HTR6
SCHEMBL27512148 0.83 HTR2A (0.43) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL5201930 0.80 HTR2A (0.47) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL5205196 0.80 HTR2A (0.47) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL5872413 0.79 HTR2A (0.43) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL5871460 0.78 HTR2A (0.52) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL7219846 0.77 HTR2A (0.46) HTR2AHTR2CHTR7HTR6OPRM1
SCHEMBL5871899 0.75 HTR1A (0.48) HTR2AHTR2CHTR7HTR6
SCHEMBL6620022 0.74 PLD2 (0.46) HTR2AHTR2CHTR7HTR6

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 2 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
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US 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 (1 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-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885HTR2C 107/4885HTR7 57/4885

“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.