SCHEMBL4522206

SCHEMBL4522206

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 4/20 0.43
TSHR P16473 4/20 0.43
HPGD P15428 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HKDC1 Q2TB90 2/20 0.43
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
CTSL P07711 1/20 0.36
ESR1 P03372 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
SCHEMBL4522615 0.93 HKDC1 (0.41) SMN1; SMN2LMNATSHRHPGDNPC1
SCHEMBL4524975 0.91 HIF1A (0.42) SMN1; SMN2LMNATSHRHPGDNPC1
SCHEMBL4515222 0.88 HKDC1 (0.41) SMN1; SMN2LMNATSHRHPGDNPC1
SCHEMBL4510647 0.84 HKDC1 (0.35) SMN1; SMN2LMNATSHRHPGDNPC1
SCHEMBL4520786 0.84 CNR1 (0.39) LMNATSHRNPC1CYP2C19CYP1A2
SCHEMBL4524524 0.82 CDK1 (0.34) SMN1; SMN2LMNAHKDC1MAPK1PDE4A
SCHEMBL4506382 0.81 CNR1 (0.39) LMNATSHRNPC1CYP2C19CYP1A2
SCHEMBL4529217 0.80 TP53 (0.36) LMNATSHRHKDC1MAPK1PDE4A
SCHEMBL4515640 0.80 GRM1 (0.36) LMNAMAPK1PDE4BPDE4DESR1
SCHEMBL4515817 0.80 LMNA (0.43) SMN1; SMN2LMNATSHRHPGDNPC1

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 SMN1; SMN2 3506/4885LMNA 4529/4885TSHR 915/4885

“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.