SCHEMBL1911501

SCHEMBL1911501

[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1NCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALPL P05186 1/20 0.34
DPP4 P27487 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL338266 0.83 DPP4 (0.44) GSK3BCNR1CNR2DPP4
SCHEMBL339356 0.82 GSK3B (0.43) GSK3BCNR1CNR2ALPLDPP4
SCHEMBL1911503 0.79 EGLN2 (0.40) GSK3BDPP4EGLN2
SCHEMBL1911506 0.77 EGLN2 (0.41) GSK3BDPP4EGLN2
SCHEMBL8224818 0.71 EGLN2 (0.40) GSK3BDPP4EGLN2
SCHEMBL339163 0.71 DPP4 (0.44) GSK3BDPP4
SCHEMBL340317 0.70 DPP4 (0.46) GSK3BDPP4EGLN2
SCHEMBL339648 0.69 DPP4 (0.44) GSK3BDPP4
SCHEMBL338893 0.69 DPP4 (0.41) GSK3BALPLDPP4
SCHEMBL868860 0.68 DPP4 (0.43) GSK3BDPP4

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-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-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 GSK3B 2067/4885CNR1 1923/4885CNR2 2213/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC GSK3B 2067/4885CNR1 1923/4885CNR2 2213/4885

“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.