SCHEMBL5519358

SCHEMBL5519358

NCC1(O)CCC(COCc2ccccc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 1/20 0.38
SCN3A Q9NY46 6/20 0.38
KCNH2 Q12809 6/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MAOB P27338 6/20 0.38
CHRM3 P20309 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5519350 1.00 IDO1 (0.41) IDO1ALDH1A1SCN3AKCNH2SCN1A
SCHEMBL5519354 1.00 IDO1 (0.41) IDO1ALDH1A1SCN3AKCNH2SCN1A
SCHEMBL5523249 0.81 IDO1 (0.38) IDO1ALDH1A1SCN3AKCNH2MAOB
SCHEMBL5527944 0.81 MAOB (0.48) IDO1SCN3AKCNH2SCN1ASCN4A
SCHEMBL5513905 0.81 CARM1 (0.48) IDO1ALDH1A1SCN3AKCNH2SCN1A
SCHEMBL5527940 0.81 MAOB (0.48) IDO1SCN3AKCNH2SCN1ASCN4A
SCHEMBL5527942 0.81 MAOB (0.48) IDO1SCN3AKCNH2SCN1ASCN4A
SCHEMBL1700657 0.80 CTSL (0.45) TAAR1
SCHEMBL14451418 0.80 HPGD (0.41)
Hydrochloric Acid SCHEMBL5516806 0.79 CTSL (0.44) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
EP-1716100-A2 THERAPEUTIC AMIDE DERIVATIVES Pfizer, Inc. (US) 2006-11-02 EP disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 WO 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A IDO1 2843/4885ALDH1A1 1187/4885SCN3A 84/4885

“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.