SCHEMBL13965848

SCHEMBL13965848

Cc1ccc(F)c(CNCCC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SLC6A4 P31645 5/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ HPGD P15428 1/20 0.35
▸ SCN8A Q9UQD0 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ OPRL1 P41146 1/20 0.34
▸ MPO P05164 2/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL13966248 0.85 SLC6A4 (0.43) SMN1; SMN2MAPK1HTTSLC6A4HTR2C
SCHEMBL10203575 0.83 MEN1 (0.36) SLC6A4HTR2CSLC6A2SLC6A3HTR2A
SCHEMBL13104119 0.79 SCN8A (0.41) SMN1; SMN2SLC6A4SCN8ASLC6A2SLC6A3
SCHEMBL10206061 0.78 TAAR1 (0.41) MAPK1SLC6A4HTR2C
SCHEMBL13104123 0.77 HTT (0.53) HTTHPGDSCN8A
SCHEMBL13104144 0.76 ALDH1A1 (0.48) SLC6A4HTR2CHTR2APDE2A
SCHEMBL18232514 0.75 DPP4 (0.35) SMN1; SMN2MAPK1HTTSLC6A4HTR2C
SCHEMBL20255348 0.73 LMNA (0.36) SMN1; SMN2MAPK1HTTSLC6A4HTR2C
SCHEMBL14290420 0.73 SLC6A4 (0.45) SLC6A4HTR2CSLC6A2HTR2APDE2A
SCHEMBL765046 0.73 GABRA1 (0.42) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 — — 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS SMN1; SMN2 4259/4885MAPK1 4523/4885HTT 3795/4885

“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.

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