SCHEMBL339811

SCHEMBL339811

Cc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CN)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
DPP4 P27487 2/20 0.38
LRRK2 Q5S007 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CRHR1 P34998 1/20 0.35
SUV39H2 Q9H5I1 4/20 0.34
TGFBR1 P36897 1/20 0.34
PDE2A O00408 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR2 P34972 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL339127 0.90 DPP4 (0.43) PIK3CADPP4NPC1RAB9ADPP8
SCHEMBL338617 0.90 PIK3CA (0.38) PIK3CADPP4LRRK2TGFBR1KDM4E
SCHEMBL340151 0.89 NCF1 (0.36) DPP4NPC1RAB9ADPP8DPP9
SCHEMBL340176 0.88 DPP4 (0.38) DPP4SUV39H2
SCHEMBL338621 0.86 DPP4 (0.40) PIK3CADPP4NPC1RAB9ADPP8
SCHEMBL1913165 0.82 CRHR1 (0.42) PIK3CADPP4NPC1RAB9ADPP8
SCHEMBL339358 0.80 PIK3CA (0.40) PIK3CADPP4NPC1RAB9ADPP8
SCHEMBL340037 0.80 DPP4 (0.39) DPP4DPP8DPP9CRHR1KDM4E
SCHEMBL338930 0.80 CRHR1 (0.41) PIK3CADPP4NPC1RAB9ADPP8
SCHEMBL338785 0.80 DPP4 (0.39) DPP4DPP8DPP9KDM4E

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 PIK3CA 1666/4885DPP4 120/4885LRRK2 4623/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PIK3CA 1666/4885DPP4 120/4885LRRK2 4623/4885

“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.