SCHEMBL13097709

SCHEMBL13097709

Cc1ncc(C(C)C)cc1OC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.33
PDE2A O00408 3/20 0.32
ALDH1A1 P00352 2/20 0.31
KCNN4 O15554 1/20 0.31
CACNA1H O95180 1/20 0.31
MAP3K12 Q12852 1/20 0.30
KCNK3 O14649 1/20 0.30
KCNK9 Q9NPC2 1/20 0.30
PDE10A Q9Y233 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL19754779 0.81 MAP3K12 (0.44) HRH4MAP3K12
SCHEMBL8737264 0.78 HDAC4 (0.38) ALDH1A1PDE10AEGFR
SCHEMBL15031757 0.78 PGK1 (0.34) PDE10A
SCHEMBL17244888 0.76 SCN9A (0.40) HRH4ALDH1A1CACNA1H
SCHEMBL29177457 0.75 MBOAT4 (0.33) HRH4PDE2AMAP3K12PDE10A
SCHEMBL10141677 0.75 ACHE (0.34)
SCHEMBL17517152 0.73 RXRA (0.34)
SCHEMBL17973862 0.72 PDE2A (0.35) HRH4PDE2AALDH1A1CACNA1H
SCHEMBL26739748 0.72 ALPL (0.35) KCNK3KCNK9PDE10AEGFR
SCHEMBL22242846 0.72 PDE2A (0.36) HRH4PDE2AALDH1A1KCNK3KCNK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466171-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-20100256180-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMAPANY (US) 2010-10-07 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-20100256180-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA HRH4 420/4885PDE2A 1996/4885ALDH1A1 865/4885

“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.