SCHEMBL4560686

SCHEMBL4560686

O=C(C1CCCCC1)n1cnc2c(=O)[nH]cnc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HPRT1 P00492 8/20 0.43
▸ ADORA3 P0DMS8 2/20 0.40
▸ PNP P00491 2/20 0.38
▸ ELANE P08246 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL16276016 0.75 HPRT1 (0.50) LMNAALDH1A1ALBMAPK1HPRT1
SCHEMBL5438533 0.69 ALDH1A1 (0.58) LMNAALDH1A1ALBMAPK1HPRT1
SCHEMBL7389719 0.67 HPRT1 (0.47) HPRT1PNP
SCHEMBL28769227 0.67 ALDH1A1 (0.49) LMNAALDH1A1ALBMAPK1HPRT1
SCHEMBL8922846 0.65 ALDH1A1 (0.69) LMNAALDH1A1ALBMAPK1HPRT1
SCHEMBL8791177 0.65 HPRT1 (0.51) LMNAALDH1A1ALBMAPK1HPRT1
SCHEMBL21362204 0.65 HPRT1 (0.51) LMNAALDH1A1ALBMAPK1HPRT1
SCHEMBL13145301 0.65 HPRT1 (0.51) LMNAALDH1A1ALBMAPK1HPRT1
SCHEMBL2679158 0.64 ALDH1A1 (0.49) LMNAALDH1A1ALBMAPK1HPRT1
Didanosine SCHEMBL16695883 0.64 ALDH1A1 (1.00) LMNAALDH1A1ALBMAPK1ADORA3

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 — — 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 LMNA 4529/4885ALDH1A1 897/4885ALB 4451/4885

“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.

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