SCHEMBL4526037

SCHEMBL4526037

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(CCC(C)C)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
HKDC1 Q2TB90 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
CDK1 P06493 6/20 0.37
APLNR P35414 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE10A Q9Y233 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4515817 0.94 LMNA (0.43) NPC1RAB9ALMNAHPGDALDH1A1
SCHEMBL4529223 0.91 HKDC1 (0.40) NPC1RAB9ALMNAHPGDALDH1A1
SCHEMBL4514093 0.89 TSHR (0.44) NPC1LMNAALDH1A1TSHRCDK1
SCHEMBL4510793 0.87 HKDC1 (0.39) NPC1RAB9ALMNAHPGDALDH1A1
SCHEMBL4522615 0.84 HKDC1 (0.41) NPC1RAB9ALMNAHPGDALDH1A1
SCHEMBL4978987 0.84 SMN1; SMN2 (0.37) NPC1RAB9ALMNAHPGDALDH1A1
SCHEMBL4515514 0.83 TSHR (0.43) NPC1LMNAALDH1A1TSHRCDK1
SCHEMBL4425849 0.83 NPC1 (0.37) NPC1RAB9ALMNAHPGDALDH1A1
SCHEMBL4527001 0.82 SMN1; SMN2 (0.36) NPC1RAB9ALMNAHPGDALDH1A1
SCHEMBL4521631 0.81 TSHR (0.37) NPC1LMNAALDH1A1TSHRCDK1

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 NPC1 631/4885RAB9A 1675/4885LMNA 4529/4885

“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.