SCHEMBL2654476

SCHEMBL2654476

CC(=O)N1CCN(c2cccc(-n3cnc4cc(OC(F)(F)F)ccc43)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
HPGD P15428 10/20 0.46
ALDH1A1 P00352 2/20 0.46
CCKAR P32238 1/20 0.45
RORC P51449 2/20 0.44
FGFR1 P11362 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PHGDH O43175 1/20 0.42

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
SCHEMBL2654063 0.88 HPGD (0.59) HPGDALDH1A1FGFR1NPC1RAB9A
SCHEMBL2656455 0.85 HPGD (0.57) ENPP2HPGDALDH1A1FGFR1NPC1
SCHEMBL2653778 0.82 HPGD (0.58) HPGDALDH1A1FGFR1NPC1RAB9A
SCHEMBL2650466 0.81 FGFR1 (0.65) HPGDALDH1A1FGFR1NPC1RAB9A
SCHEMBL5781875 0.81 FGFR1 (0.62) HPGDALDH1A1FGFR1NPC1RAB9A
SCHEMBL2659359 0.80 HPGD (0.58) ENPP2HPGDALDH1A1FGFR1NPC1
SCHEMBL2651395 0.80 HPGD (0.53) HPGDALDH1A1FGFR1NPC1RAB9A
SCHEMBL2654001 0.79 HPGD (0.50) ENPP2HPGDALDH1A1FGFR1NPC1
SCHEMBL2653480 0.78 HPGD (0.48) ENPP2HPGDALDH1A1FGFR1NPC1
SCHEMBL2660361 0.78 HPGD (0.48) ENPP2HPGDALDH1A1FGFR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US claimed
EP-1874735-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP claimed
WO-2006111517-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 WO claimed
US-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex NEUROSEARCH A/S (DK) 2009-03-05 US disclosed
EP-1874735-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111517-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 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-20090062304-A1 Benzimidazole derivatives and their use for modulating the gaba-alpha receptor complex GABRB1, GABRB2, GABRB3 ENPP2 2329/4885HPGD 2480/4885ALDH1A1 514/4885

“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.