SCHEMBL6121

SCHEMBL6121

O=C(C1CC1)N1CC[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
FAAH O00519 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 4/20 0.40
FASN P49327 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
HTR6 P50406 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPHX2 P34913 1/20 0.38
CCR3 P51677 1/20 0.38
MGLL Q99685 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL6123 1.00 NPY5R (0.42) NPY5RFAAHACHEMAPTFASN
SCHEMBL5904 0.92 NPY5R (0.42) NPY5RFAAHACHEMAPTFASN
SCHEMBL5906 0.92 NPY5R (0.42) NPY5RFAAHACHEMAPTFASN
SCHEMBL11909682 0.89 FAAH (0.44) FAAHACHEMAPTALDH1A1LMNA
SCHEMBL11909680 0.89 FAAH (0.44) FAAHACHEMAPTALDH1A1LMNA
SCHEMBL6903 0.88 KAT2B (0.43) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL6905 0.88 KAT2B (0.43) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL7209 0.87 STAT3 (0.45) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL7207 0.87 STAT3 (0.45) MAPTALDH1A1LMNAMAPK1CYP1A2
SCHEMBL5913 0.85 KMT2A (0.44) MAPTFASNALDH1A1LMNAMAPK1

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
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 NPY5R 4671/4885FAAH 141/4885ACHE 4129/4885

“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.