SCHEMBL20656276

SCHEMBL20656276

CCOC(=O)c1cc(-c2ccncc2)n(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.56
MMP13 P45452 3/20 0.53
MMP2 P08253 2/20 0.53
MMP14 P50281 2/20 0.53
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
CLK1 P49759 1/20 0.51
UBE2N P61088 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA9 Q16790 2/20 0.46
CASP1 P29466 1/20 0.46
CDC7 O00311 3/20 0.46
DBF4 Q9UBU7 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR1H2 P55055 1/20 0.45
CHRNA7 P36544 2/20 0.45
ROCK2 O75116 1/20 0.45

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
SCHEMBL1779589 0.87 CA9 (0.59) FAAHMMP13MMP2MMP14ALDH1A1
SCHEMBL4693449 0.86 FAAH (0.59) FAAHMMP13MMP2MMP14CA9
SCHEMBL15868129 0.85 FAAH (0.47) FAAHMMP13MMP2MMP14MAPK1
SCHEMBL15378572 0.85 FAAH (0.58) FAAHMMP13MMP2MMP14ALDH1A1
SCHEMBL4692320 0.85 FAAH (0.58) FAAHMMP13MMP2MMP14ALDH1A1
SCHEMBL3603850 0.85 CHRNA7 (0.60) FAAHMMP13MMP2MMP14CA9
SCHEMBL5023193 0.85 CHRNA7 (0.60) FAAHMMP13MMP2MMP14CA9
SCHEMBL17375118 0.84 FAAH (0.52) FAAHMMP13MMP2MMP14ALDH1A1
SCHEMBL5025661 0.84 FAAH (0.55) FAAHMMP13MMP2MMP14CA9
SCHEMBL4694993 0.84 FAAH (0.63) FAAHMMP13MMP2MMP14ALDH1A1

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-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 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 (2 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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 FAAH 160/4885MMP13 2821/4885MMP2 3390/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 FAAH 160/4885MMP13 2821/4885MMP2 3390/4885

“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.