SCHEMBL25864944

SCHEMBL25864944

CC(C)Oc1cnc(C(C)C)nc1S

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
TLR8 Q9NR97 1/20 0.30
MCHR1 Q99705 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
SCHEMBL22504228 0.79 PIK3C3 (0.33) TRPM8TLR8MCHR1
SCHEMBL5321883 0.79 TRPM8 (0.41) MEN1POLBKMT2ATRPM8TLR8
SCHEMBL21994924 0.68 TLR8 (0.34) MEN1POLBKMT2ATLR8MCHR1
SCHEMBL21097265 0.67 ALDH1A3 (0.34) POLBKMT2A
SCHEMBL1916331 0.67 MEN1 (0.35) MEN1POLBKMT2ATRPM8TLR8
SCHEMBL29333343 0.65 P2RX3 (0.37) POLBKMT2ATRPM8
SCHEMBL19523196 0.65 P2RX3 (0.37) KMT2ATRPM8
SCHEMBL10566894 0.65 KMT2A (0.47) POLBKMT2ATRPM8
SCHEMBL25910814 0.64 P2RX3 (0.38) POLB
SCHEMBL10691443 0.64 P2RX3 (0.36) POLB

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-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-11 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-11697646-B2 Triazole N-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR1, LPAR2 MEN1 3048/4885POLB 4089/4885KMT2A 1795/4885

“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.