SCHEMBL339703

SCHEMBL339703

NCc1cc2nnc(NC(=O)CC34CC5CC(CC(C5)C3)C4)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.45
CNR1 P21554 1/20 0.39
SCN9A Q15858 2/20 0.39
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NR4A1 P22736 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 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
SCHEMBL338848 0.81 P2RX7 (0.38) P2RX7CNR1MEN1KMT2A
SCHEMBL1912414 0.81 P2RX7 (0.38) P2RX7CNR1MEN1KMT2A
SCHEMBL1911445 0.81 P2RX7 (0.38) P2RX7CNR1MEN1KMT2A
SCHEMBL338950 0.80 ALDH1A1 (0.40) CNR1USP2
SCHEMBL340212 0.79 DPP4 (0.39)
SCHEMBL339881 0.78 GSK3B (0.36) CNR1SCN9AKMT2A
SCHEMBL339320 0.77 DPP4 (0.41) SCN9AKMT2A
SCHEMBL338577 0.77 GSK3B (0.39) P2RX7POLB
SCHEMBL339777 0.75 EPHX2 (0.38) CA12CA9
SCHEMBL339260 0.72 CHRM3 (0.33) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC P2RX7 2896/4885CNR1 1923/4885SCN9A 1881/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC P2RX7 2896/4885CNR1 1923/4885SCN9A 1881/4885

“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.