SCHEMBL1965989

SCHEMBL1965989

CCCC(=O)N[C@H]1CCN(c2nc(N3CCn4c(nnc4C(F)(F)F)C3)c3cc(CCC)sc3n2)C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.59
DPP4 P27487 1/20 0.40
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CYP8B1 Q9UNU6 6/20 0.35

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
SCHEMBL1965991 1.00 P2RY12 (0.59) P2RY12DPP4MTNR1AMTNR1BMEN1
SCHEMBL1966315 1.00 P2RY12 (0.59) P2RY12DPP4MTNR1AMTNR1BMEN1
SCHEMBL1966326 0.96 P2RY12 (0.59) P2RY12DPP4MTNR1AMTNR1BMEN1
SCHEMBL1966329 0.96 P2RY12 (0.59) P2RY12DPP4MTNR1AMTNR1BMEN1
SCHEMBL1967887 0.96 P2RY12 (0.58) P2RY12DPP4MTNR1AMTNR1BMEN1
SCHEMBL1967885 0.96 P2RY12 (0.58) P2RY12DPP4MTNR1AMTNR1BMEN1
SCHEMBL1971721 0.96 P2RY12 (0.58) P2RY12DPP4MTNR1AMTNR1BMEN1
SCHEMBL1967180 0.96 P2RY12 (0.58) P2RY12DPP4MTNR1AMTNR1BMEN1
SCHEMBL1967181 0.96 P2RY12 (0.58) P2RY12DPP4MTNR1AMTNR1BMEN1
SCHEMBL1972836 0.96 P2RY12 (0.61) P2RY12DPP4MEN1KMT2AHDAC6

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 6 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
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
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
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 127/4885DPP4 1926/4885MTNR1A 4252/4885

“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.