SCHEMBL8005254

SCHEMBL8005254

Cn1c(-c2cnccn2)nc(-c2ccc(C#N)cc2)c1Sc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
HSD11B1 P28845 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NR1I2 O75469 1/20 0.35
PGGT1B P53609 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1304298 0.88 FAAH (0.67) FAAHMAOBMAOAMEN1KMT2A
SCHEMBL12106256 0.83 FAAH (0.64) FAAHPTGDR2KCNH2
SCHEMBL12106886 0.82 FAAH (0.48) FAAHMAOBMAOAMEN1KMT2A
SCHEMBL8006327 0.82 GAA (0.52) FAAHMAOBMAOAMEN1KMT2A
SCHEMBL8002873 0.82 FAAH (0.51) FAAHHSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL1302719 0.81 FAAH (0.50) FAAHMAOBMAOACYP3A4CYP2D6
SCHEMBL8006548 0.80 MAOA (0.46) FAAHMAOBMAOAHSD11B1CYP3A4
SCHEMBL7993064 0.80 FAAH (0.76) FAAHNPC1RAB9AKCNH2ALDH1A1
SCHEMBL1303162 0.79 FAAH (0.45) FAAHMAOBMAOACYP2D6CYP2C9
SCHEMBL1302339 0.79 FAAH (0.60) FAAHMAOBMAOACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
WO-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HNMT FAAH 1/4885MAOB 106/4885MAOA 61/4885

“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.