SCHEMBL4600689

SCHEMBL4600689

N#CC(C#N)NC(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.51
RAPGEF3 O95398 1/20 0.48
TLR7 Q9NYK1 3/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
EPHX2 P34913 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
MTOR P42345 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PREP P48147 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL13702138 0.81 MLYCD (0.65) TRPV1TLR7HDAC3HDAC1HDAC2
SCHEMBL28779668 0.77 HDAC3 (0.49) TRPV1RAPGEF3TLR7HDAC3HDAC1
SCHEMBL2949064 0.76 TRPV1 (0.52) TRPV1TLR7HDAC3HDAC1HDAC2
SCHEMBL15129171 0.75 TRPV1 (0.61) TRPV1TLR7HDAC3HDAC1HDAC2
SCHEMBL14880391 0.75 TRPV1 (0.61) TRPV1TLR7HDAC3HDAC1HDAC2
SCHEMBL18896223 0.75 ALDH1A1 (0.56) TRPV1HDAC3HDAC1HDAC2EPHX2
SCHEMBL20074625 0.74 RAPGEF3 (0.52) TRPV1RAPGEF3HDAC3HDAC1HDAC2
SCHEMBL379229 0.74 ALDH1A1 (0.49) TRPV1RAPGEF3TLR7HDAC3HDAC1
SCHEMBL2650529 0.74 TRPV1 (0.59) TRPV1TLR7HDAC3HDAC1HDAC2
SCHEMBL2208745 0.74 HPGD (0.63) TRPV1TLR7HDAC3HDAC1HDAC2

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-20080227863-A1 Organic Compounds NOVARTIS AG 2008-09-18 US disclosed
EP-1910278-A1 AMIDONITRILE COMPOUNDS Novartis AG (CH) 2008-04-16 EP disclosed
WO-2007017088-A1 AMIDONITRILE COMPOUNDS NOVARTIS AG (CH) 2007-02-15 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-20080227863-A1 Organic Compounds OXER1, AOX1, CYP1A1 TRPV1 715/4885RAPGEF3 3048/4885TLR7 3084/4885

“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.