SCHEMBL1970195

SCHEMBL1970195

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCC(NC(=O)Oc4ccc([N+](=O)[O-])cc4)C3)nc2s1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.51
CYP8B1 Q9UNU6 9/20 0.38
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
AMY1A P0DUB6 1/20 0.35
PTPN1 P18031 1/20 0.35
DPP4 P27487 1/20 0.35
PPARA Q07869 1/20 0.33

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
SCHEMBL1970191 1.00 P2RY12 (0.51) P2RY12CYP8B1HTR1ADRD2HTR2A
SCHEMBL1969410 0.92 P2RY12 (0.53) P2RY12CYP8B1
SCHEMBL1967135 0.88 P2RY12 (0.58) P2RY12CYP8B1DPP4
SCHEMBL1967133 0.88 P2RY12 (0.58) P2RY12CYP8B1DPP4
SCHEMBL1969111 0.87 P2RY12 (0.57) P2RY12CYP8B1DPP4
SCHEMBL1969113 0.87 P2RY12 (0.57) P2RY12CYP8B1DPP4
SCHEMBL1970704 0.86 P2RY12 (0.56) P2RY12CYP8B1DPP4
SCHEMBL1968913 0.86 P2RY12 (0.56) P2RY12CYP8B1DPP4
SCHEMBL1967678 0.85 P2RY12 (0.58) P2RY12CYP8B1DPP4
SCHEMBL1968362 0.85 P2RY12 (0.58) P2RY12CYP8B1DPP4

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 127/4885CYP8B1 508/4885HTR1A 1293/4885

“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.