SCHEMBL1969028

SCHEMBL1969028

CCc1cc2c(N3CCc4c(nc(-c5ccoc5)nc4C(F)(F)F)C3)nc(NCC(O)CO)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 12/20 0.51
TRPV1 Q8NER1 2/20 0.33
TMIGD3 P0DMS9 1/20 0.33
ADORA1 P30542 1/20 0.33
IDH2 P48735 3/20 0.31
PRKCI P41743 2/20 0.31

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
SCHEMBL12409699 1.00 P2RY12 (0.51) P2RY12TRPV1TMIGD3ADORA1IDH2
SCHEMBL13460011 0.94 P2RY12 (0.43) P2RY12TRPV1TMIGD3ADORA1PRKCI
SCHEMBL1966501 0.83 TMIGD3 (0.37) P2RY12TRPV1TMIGD3ADORA1
SCHEMBL1967591 0.78 P2RY12 (0.43) P2RY12TRPV1TMIGD3ADORA1
SCHEMBL1966749 0.73 P2RY12 (0.43) P2RY12
SCHEMBL1968302 0.72 P2RY12 (0.56) P2RY12TMIGD3
SCHEMBL12409400 0.72 P2RY12 (0.56) P2RY12TMIGD3
SCHEMBL1968135 0.72 P2RY12 (0.39) P2RY12
SCHEMBL1970916 0.72 HTR6 (0.40) P2RY12TRPV1
SCHEMBL12409664 0.72 HTR6 (0.40) P2RY12TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 P2RY12 127/4885TRPV1 2200/4885TMIGD3 2869/4885

“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.