SCHEMBL338979

SCHEMBL338979

CCOC(=O)c1cnc2cc(C(N)C(=O)OC(C)(C)C)c(-c3ccc(Cl)cc3Cl)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F11 P03951 1/20 0.36
KLKB1 P03952 1/20 0.36
IDO1 P14902 1/20 0.35
TGFBR1 P36897 2/20 0.35
GABRA2 P47869 5/20 0.35
GABRB2 P47870 5/20 0.35
CDC7 O00311 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
SCHEMBL1913168 0.80 MAPT (0.44) DPP4DPP8DPP9MAPTKDM4E
SCHEMBL338980 0.80 IDO1 (0.39) DPP4DPP8DPP9CNR1CNR2
SCHEMBL23728644 0.70 TGFBR1 (0.54) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL13604999 0.69 IDO1 (0.45) DPP4DPP8DPP9CNR1CNR2
SCHEMBL1647562 0.69 KDM4E (0.53) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL337927 0.69 IDO1 (0.39) CNR1CNR2MAPTKDM4ENPC1
SCHEMBL1913166 0.68 MARS1 (0.40) DPP4DPP8NPC1RAB9APOLB
SCHEMBL339484 0.68 TSHR (0.45) DPP4DPP8DPP9MAPTKDM4E
SCHEMBL8260658 0.67 DPP4 (0.47) DPP4DPP8DPP9CNR1CNR2
SCHEMBL312448 0.66 PIK3CD (0.55) MAPTKDM4ENPC1RAB9ASMN1; SMN2

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 DPP4 120/4885DPP8 403/4885DPP9 380/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885

“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.