SCHEMBL4515817

SCHEMBL4515817

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
HKDC1 Q2TB90 2/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CDK1 P06493 7/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4526037 0.94 NPC1 (0.44) LMNANPC1RAB9AHPGDALDH1A1
SCHEMBL4510793 0.91 HKDC1 (0.39) LMNANPC1RAB9AHPGDALDH1A1
SCHEMBL4515514 0.90 TSHR (0.43) LMNANPC1ALDH1A1TSHRCDK1
SCHEMBL4506728 0.87 ALDH1A1 (0.42) LMNANPC1RAB9AHPGDALDH1A1
SCHEMBL4529223 0.87 HKDC1 (0.40) LMNANPC1RAB9AHPGDALDH1A1
SCHEMBL4522615 0.86 HKDC1 (0.41) LMNANPC1RAB9AHPGDALDH1A1
SCHEMBL4514093 0.83 TSHR (0.44) LMNANPC1ALDH1A1TSHRCDK1
SCHEMBL4978987 0.82 SMN1; SMN2 (0.37) LMNANPC1RAB9AHPGDALDH1A1
SCHEMBL4519944 0.82 CNR1 (0.37) LMNANPC1ALDH1A1TSHRCDK1
SCHEMBL4527001 0.80 SMN1; SMN2 (0.36) LMNANPC1RAB9AHPGDALDH1A1

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 4529/4885NPC1 631/4885RAB9A 1675/4885

“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.