SCHEMBL5801648

SCHEMBL5801648

Cc1nc2cc(NC(=O)c3cccc(C(F)(F)F)c3F)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.57
RAB9A P51151 10/20 0.55
NPC1 O15118 9/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 1/20 0.47
TEK Q02763 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 1/20 0.45
CBLB Q13191 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
MAPT P10636 3/20 0.45

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
SCHEMBL5800495 0.90 TRPV1 (0.60) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5800197 0.85 TRPV1 (0.59) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL31423384 0.80 RAB9A (0.60) RAB9ANPC1CASP3SENP7KMT2A
SCHEMBL5803488 0.80 TRPV1 (0.65) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5784275 0.80 TRPV1 (0.62) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5803178 0.80 TRPV1 (0.65) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL1385031 0.79 RAB9A (0.49) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4970699 0.79 TRPV1 (0.60) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL3777657 0.78 RAB9A (0.66) RAB9ANPC1POLBKMT2ALMNA
SCHEMBL13763263 0.78 TRPV1 (0.80) TRPV1RAB9ANPC1CASP3SENP7

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-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 US claimed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP claimed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO claimed
US-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 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-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) AVPR1A, AVPR2, TRPV1 TRPV1 3/4885RAB9A 1626/4885NPC1 837/4885

“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.