SCHEMBL5484751

SCHEMBL5484751

CCSn1c(-c2ccccc2C(F)(F)F)nc2cccnc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 11/20 0.39
▸ C1R P00736 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ TOP1 P11387 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL5477124 0.83 PDE2A (0.42) HSD11B1ALDH1A1CYP1A2MAPK1CYP2C19
SCHEMBL5452808 0.80 HSD11B1 (0.38) HSD11B1PDE10ACNR2SMN1; SMN2
SCHEMBL5470198 0.80 PARP1 (0.40) HSD11B1CNR2CYP1A2CYP3A4TSHR
SCHEMBL5462552 0.80 HSD11B1 (0.40) HSD11B1
SCHEMBL5477511 0.78 ALDH1A1 (0.44) HSD11B1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5484760 0.72 APLNR (0.47) ALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL10388419 0.65 LMNA (0.45) HSD17B10KDM4E
SCHEMBL5468167 0.65 HSD11B1 (0.37) HSD11B1PDE10A
SCHEMBL18434789 0.63 SLC40A1 (0.51) HSD11B1ALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL6223773 0.63 HSD11B1 (0.50) HSD11B1TSHR

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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 — — 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 HSD11B1 1763/4885C1R 1615/4885ALDH1A1 825/4885

“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.

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