SCHEMBL339083

SCHEMBL339083

CCOC(=O)N1CCCC(N(C)C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.39
DPP8 Q6V1X1 3/20 0.39
MCHR1 Q99705 3/20 0.38
TSHR P16473 2/20 0.37
USP30 Q70CQ3 3/20 0.37
CNR1 P21554 3/20 0.36
CNR2 P34972 2/20 0.36
DPP9 Q86TI2 2/20 0.36
PROKR1 Q8TCW9 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 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
SCHEMBL339820 0.85 CNR1 (0.49) DPP4DPP8TSHRCNR1CNR2
SCHEMBL339082 0.83 CNR1 (0.42) DPP4DPP8TSHRCNR1CNR2
SCHEMBL338911 0.81 DPP4 (0.40) DPP4DPP8MCHR1USP30CNR1
SCHEMBL339484 0.81 TSHR (0.45) DPP4DPP8TSHRDPP9KMT2A
SCHEMBL339080 0.76 ALDH1A1 (0.49) TSHRKMT2AMAPT
SCHEMBL338620 0.76 ADORA2A (0.41) DPP4DPP8TSHRUSP30DPP9
SCHEMBL338816 0.74 DPP4 (0.40) DPP4DPP8DPP9
SCHEMBL340178 0.74 DPP4 (0.42) DPP4DPP8CNR1DPP9KMT2A
SCHEMBL339324 0.73 ALDH1A1 (0.39) DPP4DPP8TSHRDPP9KMT2A
SCHEMBL340135 0.73 DPP4 (0.42) DPP4DPP8TSHRCNR1CNR2

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 DPP4 120/4885DPP8 403/4885MCHR1 2662/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885MCHR1 2662/4885

“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.