SCHEMBL338908

SCHEMBL338908

NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1NC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.40
DPP4 P27487 5/20 0.39
CRHR1 P34998 2/20 0.38
CNR2 P34972 1/20 0.38
DPP8 Q6V1X1 4/20 0.37
GSK3B P49841 1/20 0.36
DPP9 Q86TI2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 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
SCHEMBL339641 0.99 DPP4 (0.39) CNR1DPP4CRHR1CNR2DPP8
SCHEMBL338833 0.83 DPP4 (0.39) DPP4DPP8GSK3BDPP9
SCHEMBL340317 0.82 DPP4 (0.46) DPP4DPP8GSK3BDPP9
SCHEMBL339163 0.81 DPP4 (0.44) DPP4DPP8GSK3BDPP9
SCHEMBL340316 0.80 DPP4 (0.48) DPP4DPP8GSK3BDPP9
SCHEMBL339691 0.79 GSK3B (0.41) DPP4DPP8GSK3BDPP9
SCHEMBL339648 0.79 DPP4 (0.44) DPP4CRHR1DPP8GSK3B
SCHEMBL338674 0.79 DPP4 (0.43) CNR1DPP4CNR2DPP8GSK3B
SCHEMBL338266 0.78 DPP4 (0.44) CNR1DPP4CNR2DPP8GSK3B
SCHEMBL340211 0.78 DPP4 (0.49) DPP4DPP8GSK3BDPP9

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 9 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-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 CNR1 1923/4885DPP4 120/4885CRHR1 2644/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC CNR1 1923/4885DPP4 120/4885CRHR1 2644/4885

“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.