SCHEMBL5778325

SCHEMBL5778325

CO[CH]Nc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.47
NPC1 O15118 10/20 0.47
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
PKM P14618 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MITF O75030 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 7/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GFER P55789 3/20 0.45
MAPK10 P53779 1/20 0.45
TP53 P04637 2/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 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
SCHEMBL1345285 0.77
SCHEMBL13763536 0.76 NPC1 (0.59) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7136008 0.75 NPC1 (0.54) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL28322436 0.72
SCHEMBL80955 0.72
SCHEMBL1466424 0.72
SCHEMBL30203797 0.72
SCHEMBL4730487 0.72
SCHEMBL11234606 0.72
SCHEMBL15785946 0.72 GAA (0.50) RAB9ANPC1MAPTSMN1; SMN2KDM4E

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-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 RAB9A 1626/4885NPC1 837/4885MAPT 4661/4885

“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.