SCHEMBL5783221

SCHEMBL5783221

CCc1ccc(C(=O)Nc2ccc3sc(C)nc3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.72
LMNA P02545 1/20 0.64
RAB9A P51151 10/20 0.60
NPC1 O15118 8/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 1/20 0.59
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL5335168 0.91 TRPV1 (0.69) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5803028 0.88 TRPV1 (0.77) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL14985573 0.87 TRPV1 (0.79) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5787140 0.86 RAB9A (0.74) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5783405 0.85 TRPV1 (0.76) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5781407 0.85 TRPV1 (0.76) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5781398 0.85 TRPV1 (0.68) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5783149 0.85 TRPV1 (0.68) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL30369793 0.85 RAB9A (0.81) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5781677 0.84 TRPV1 (1.00) TRPV1LMNARAB9ANPC1SMN1; SMN2

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 12 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-8357699-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2013-01-22 US disclosed
US-20110319390-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110183965-A1 6-AMINOISOQUINOLINE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2011-07-28 US disclosed
US-7671205-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2010-03-02 US disclosed
US-20080167340-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20070173530-A1 6-Aminoisoquinoline Compounds AERIE PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
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 (5 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 3/4885LMNA 3819/4885RAB9A 1626/4885
US-20080167340-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK TRPV1 2383/4885LMNA 2665/4885RAB9A 568/4885
US-20070173530-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK TRPV1 2383/4885LMNA 2665/4885RAB9A 568/4885
US-20110183965-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK TRPV1 2383/4885LMNA 2665/4885RAB9A 568/4885
US-20110319390-A1 6-Aminoisoquinoline Compounds COQ8A, PGC, AGK TRPV1 2383/4885LMNA 2665/4885RAB9A 568/4885

“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.