SCHEMBL339358

SCHEMBL339358

NCCCc1cc2ncc(N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.40
DPP4 P27487 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SUV39H2 Q9H5I1 2/20 0.39
AR P10275 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CRHR1 P34998 1/20 0.38
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TGFBR1 P36897 1/20 0.35
CYP2A13 Q16696 1/20 0.35
MTOR P42345 1/20 0.35
AKR1C3 P42330 1/20 0.34
ALPL P05186 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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) PIK3CADPP4NPC1RAB9AAR
SCHEMBL1913165 0.86 CRHR1 (0.42) PIK3CADPP4NPC1RAB9AAR
SCHEMBL338930 0.84 CRHR1 (0.41) PIK3CADPP4NPC1RAB9AAR
SCHEMBL339357 0.82 CRHR1 (0.39) PIK3CADPP4NPC1RAB9AAR
SCHEMBL338903 0.81 CRHR1 (0.39) PIK3CADPP4NPC1RAB9AAR
SCHEMBL340037 0.81 DPP4 (0.39) DPP4DPP8DPP9CRHR1CNR2
SCHEMBL338621 0.80 DPP4 (0.40) PIK3CADPP4NPC1RAB9AAR
SCHEMBL339811 0.80 PIK3CA (0.39) PIK3CADPP4NPC1RAB9ASUV39H2
SCHEMBL1911439 0.80 MAPT (0.43) DPP4NPC1RAB9ADPP8DPP9
SCHEMBL338779 0.80 PIK3CB (0.38) PIK3CANPC1RAB9AARCRHR1

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 PIK3CA 1666/4885DPP4 120/4885NPC1 605/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PIK3CA 1666/4885DPP4 120/4885NPC1 605/4885

“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.