SCHEMBL4524975

SCHEMBL4524975

CCCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(CCCC(F)(F)F)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CNR1 P21554 6/20 0.40
NPC1 O15118 3/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.36
MAPK1 P28482 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CTSL P07711 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
XBP1 P17861 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
SCHEMBL4520786 0.93 CNR1 (0.39) HIF1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4522206 0.91 SMN1; SMN2 (0.43) CYP1A2CYP2C9CYP2C19NPC1TSHR
SCHEMBL4506382 0.90 CNR1 (0.39) HIF1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4512837 0.89 CNR1 (0.46) HIF1ACNR1NPC1TSHRLMNA
SCHEMBL4517383 0.88 CNR1 (0.37) CNR1NPC1TSHRLMNAMAPK1
SCHEMBL4523527 0.86 CNR1 (0.40) HIF1ACNR1NPC1TSHRLMNA
SCHEMBL4524872 0.86 CNR1 (0.45) HIF1ACNR1NPC1TSHRLMNA
SCHEMBL4518633 0.85 CNR1 (0.36) HIF1ACNR1NPC1TSHRLMNA
SCHEMBL5442043 0.85 CYP2C19 (0.45) HIF1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4522615 0.84 HKDC1 (0.41) CYP1A2CYP2C9CYP2C19NPC1TSHR

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 HIF1A 775/4885CYP1A2 1418/4885CYP3A4 1163/4885

“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.