SCHEMBL4347640

SCHEMBL4347640

O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cc(F)cc(F)c1O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.57
TRPV1 Q8NER1 5/20 0.56
NAMPT P43490 2/20 0.51
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
PRMT3 O60678 1/20 0.47
LSS P48449 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PPARA Q07869 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4341854 0.88 MTOR (0.55) MTORTRPV1NAMPTOPRM1OPRL1
SCHEMBL4350316 0.84 POLB (0.54) TRPV1L3MBTL1NPC1POLBMAOB
SCHEMBL4343320 0.84 TRPV1 (0.63) MTORTRPV1NAMPTRAB9A
SCHEMBL4348348 0.83 MTOR (0.69) MTORTRPV1NAMPTPRMT3NPC1
SCHEMBL4354081 0.82 EPHX2 (0.61) MTORTRPV1NPC1RAB9A
SCHEMBL4350084 0.79 MTOR (0.56) MTORTRPV1NAMPTPRMT3RAB9A
SCHEMBL4355887 0.77 MTOR (0.67) MTORTRPV1NAMPTPRMT3ATG4B
SCHEMBL5451436 0.77 TRPV1 (0.57) TRPV1
SCHEMBL5657388 0.77 TRPV1 (0.75) TRPV1NAMPT
SCHEMBL4345518 0.76 MTOR (0.53) MTORTRPV1NAMPTPRMT3RAB9A

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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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 (2 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 MTOR 1379/4885TRPV1 2328/4885NAMPT 4392/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MTOR 1296/4885TRPV1 2320/4885NAMPT 3066/4885

“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.