SCHEMBL338950

SCHEMBL338950

COCC(=O)Nc1nnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DPP4 P27487 7/20 0.38
DPP8 Q6V1X1 6/20 0.38
HTT P42858 1/20 0.38
ALPL P05186 2/20 0.36
DPP9 Q86TI2 4/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
SLC2A2 P11168 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL340212 0.91 DPP4 (0.39) ALDH1A1DPP4DPP8ALPLDPP9
SCHEMBL339703 0.80 P2RX7 (0.45) CNR1USP2
SCHEMBL338577 0.79 GSK3B (0.39) ALDH1A1DPP4DPP8DPP9
SCHEMBL339881 0.79 GSK3B (0.36) CNR1DPP4DPP8DPP9
SCHEMBL1911445 0.78 P2RX7 (0.38) ALDH1A1LMNACNR1CNR2DPP4
SCHEMBL1912414 0.78 P2RX7 (0.38) ALDH1A1LMNACNR1CNR2DPP4
SCHEMBL338848 0.78 P2RX7 (0.38) ALDH1A1LMNACNR1CNR2DPP4
SCHEMBL339320 0.78 DPP4 (0.41) LMNADPP4DPP8DPP9HPGD
SCHEMBL339777 0.78 EPHX2 (0.38) DPP4DPP8DPP9SLC2A2
SCHEMBL339260 0.75 CHRM3 (0.33) ALDH1A1LMNACNR1DPP4HTT

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 ALDH1A1 480/4885LMNA 3629/4885CNR1 1923/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885LMNA 3629/4885CNR1 1923/4885

“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.