SCHEMBL4515976

SCHEMBL4515976

CC(CCCc1nc2c(ncn2C)c(=O)n1-c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 3/20 0.35
PDE10A Q9Y233 3/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A3 P47895 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4521064 0.94 HKDC1 (0.40) HKDC1SMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL4520603 0.91 DRD1 (0.38) HKDC1LMNAALDH1A1NPC1TSHR
SCHEMBL4506728 0.90 ALDH1A1 (0.42) HKDC1SMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL4510793 0.89 HKDC1 (0.39) HKDC1SMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL4515222 0.85 HKDC1 (0.41) HKDC1SMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL4288347 0.85 DRD1 (0.39) HKDC1LMNAALDH1A1NPC1TSHR
SCHEMBL4977073 0.85 DRD1 (0.39) HKDC1LMNAALDH1A1NPC1TSHR
SCHEMBL4515713 0.85 DRD1 (0.39) HKDC1LMNAALDH1A1NPC1TSHR
SCHEMBL4529223 0.83 HKDC1 (0.40) HKDC1SMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL4284241 0.82 PDE10A (0.37) HKDC1PDE10AALDH1A3

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 HKDC1 2603/4885SMN1; SMN2 3506/4885LMNA 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.