SCHEMBL5432008

SCHEMBL5432008

O=c1c2ncn(CC3CC3)c2ncn1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
GRM1 Q13255 8/20 0.42
GRM5 P41594 2/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
XDH P47989 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
DGAT1 O75907 1/20 0.38
TYMP P19971 1/20 0.38
YTHDC1 Q96MU7 1/20 0.38
HPGD P15428 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL5428705 0.82 RAB9A (0.46) RAB9AGRM1GRM5XDHALDH1A1
SCHEMBL5438914 0.80 TSHR (0.49) RAB9AGRM1GRM5XDHALDH1A1
SCHEMBL5438383 0.78 RAB9A (0.45) RAB9AGRM1GRM5XDHPI4KA
SCHEMBL5429660 0.74 GRM1 (0.52) RAB9AGRM1GRM5XDHPI4KA
SCHEMBL5429563 0.71 RAB9A (0.46) RAB9AGRM1GRM5XDHALDH1A1
SCHEMBL5428478 0.71 MAPT (0.47) RAB9APOLBKMT2AALDH1A1LMNA
SCHEMBL5437221 0.69 SMN1; SMN2 (0.46) RAB9AGRM1GRM5POLBKMT2A
SCHEMBL9487197 0.68 RAB9A (0.52) RAB9AGRM1POLBXDHALDH1A1
SCHEMBL8237396 0.67 GRM1 (0.62) GRM1GRM5
SCHEMBL5434852 0.67 CYP11B2 (0.41) RAB9AGRM1GRM5KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 RAB9A 2806/4885GRM1 136/4885GRM5 348/4885

“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.