SCHEMBL5872413

SCHEMBL5872413

Cc1c(C(N)=O)c2ccc(CC(N)=O)cc2n1C1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.43
HTR2C P28335 3/20 0.43
HTR7 P34969 3/20 0.43
HTR6 P50406 2/20 0.43
OPRM1 P35372 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
GRM2 Q14416 2/20 0.38
CACNA1G O43497 1/20 0.38
USP14 P54578 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
SCHEMBL6621315 0.88 HTR2A (0.41) HTR2AHTR2CHTR7HTR6OPRM1
Fluorobenzene SCHEMBL27514554 0.86 USP14 (0.39) OPRM1TMEM97DRD2DRD4GRM2
SCHEMBL5872415 0.79 HTR2A (0.47) HTR2AHTR2CHTR7HTR6OPRM1
Fluorobenzene SCHEMBL27559483 0.78 DRD2 (0.38) OPRM1TMEM97DRD2DRD4GRM2
Fluorobenzene SCHEMBL27494422 0.78 DRD2 (0.38) OPRM1TMEM97DRD2DRD4GRM2
Fluorobenzene SCHEMBL27559484 0.76 OPRM1 (0.37) OPRM1TMEM97DRD2DRD4CACNA1G
Fluorobenzene SCHEMBL27514550 0.76 OPRM1 (0.37) OPRM1TMEM97DRD2DRD4CACNA1G
SCHEMBL5871456 0.76 HTR1A (0.48) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL8567327 0.74 DRD2 (0.43) DRD2
SCHEMBL27667941 0.73 GAA (0.50) OPRM1USP14

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.