SCHEMBL15075656

SCHEMBL15075656

O=C(O)c1c(-c2ccc(N(Cc3ccccc3)Cc3ccccc3)nc2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAGLB Q8NCG7 3/20 0.41
DAGLA Q9Y4D2 3/20 0.41
TRPM8 Q7Z2W7 10/20 0.40
SERPINE1 P05121 1/20 0.39
DDHD2 O94830 1/20 0.39
IDH1 O75874 2/20 0.37
SCN9A Q15858 1/20 0.37
CHRM4 P08173 1/20 0.36

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
SCHEMBL1719693 0.99 TRPM8 (0.41) DAGLBDAGLATRPM8SERPINE1DDHD2
SCHEMBL1719689 0.99 DAGLB (0.40) DAGLBDAGLATRPM8SERPINE1DDHD2
SCHEMBL1719691 0.93 DAGLB (0.39) DAGLBDAGLATRPM8SERPINE1DDHD2
SCHEMBL1719436 0.92 DAGLB (0.39) DAGLBDAGLATRPM8SERPINE1DDHD2
SCHEMBL1719005 0.87 ACHE (0.38) DAGLBDAGLASERPINE1DDHD2SCN9A
SCHEMBL15071818 0.85 CASR (0.40)
SCHEMBL1719110 0.82 IDH1 (0.42) DAGLBDAGLAIDH1
SCHEMBL1720106 0.81 ACHE (0.36)
SCHEMBL15075636 0.80 DAGLB (0.40) DAGLBDAGLATRPM8SERPINE1DDHD2
SCHEMBL1719229 0.80 FFAR4 (0.44) DAGLBDAGLASERPINE1DDHD2CHRM4

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-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A DAGLB 2331/4885DAGLA 2871/4885TRPM8 4803/4885

“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.