SCHEMBL339127

SCHEMBL339127

NCc1cc2ncc(N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
AR P10275 1/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
CRHR1 P34998 1/20 0.40
PIK3CA P42336 2/20 0.40
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2A13 Q16696 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGFBR1 P36897 1/20 0.35
SLC2A2 P11168 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
SCHEMBL340037 0.90 DPP4 (0.39) DPP4DPP8DPP9CRHR1CNR2
SCHEMBL339358 0.90 PIK3CA (0.40) DPP4NPC1RAB9AARDPP8
SCHEMBL339811 0.90 PIK3CA (0.39) DPP4NPC1RAB9ADPP8DPP9
SCHEMBL338621 0.90 DPP4 (0.40) DPP4NPC1RAB9AARDPP8
SCHEMBL1913165 0.90 CRHR1 (0.42) DPP4NPC1RAB9AARDPP8
SCHEMBL338930 0.88 CRHR1 (0.41) DPP4NPC1RAB9AARDPP8
SCHEMBL338785 0.88 DPP4 (0.39) DPP4DPP8DPP9ALDH1A1KDM4E
SCHEMBL339424 0.88 DPP4 (0.43) DPP4DPP8CYP1A2CYP3A4CYP2D6
SCHEMBL339235 0.88 DPP4 (0.43) DPP4DPP8DPP9CYP1A2CYP3A4
SCHEMBL1911439 0.87 MAPT (0.43) DPP4NPC1RAB9ADPP8DPP9

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 120/4885NPC1 605/4885RAB9A 4708/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885NPC1 605/4885RAB9A 4708/4885

“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.