SCHEMBL339677

SCHEMBL339677

N#Cc1cc2nnc(N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
AR P10275 1/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
MAPK1 P28482 3/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CNR2 P34972 4/20 0.39
CNR1 P21554 1/20 0.39
CRHR1 P34998 1/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1911446 0.81 NPC1 (0.40) NPC1RAB9AARPIK3CAMTOR
SCHEMBL339838 0.81 DPP4 (0.42) NPC1RAB9AARHPGDCNR2
SCHEMBL1913164 0.81 MEN1 (0.43) NPC1RAB9AARHPGDALDH1A1
SCHEMBL339148 0.79 KDM4E (0.41) HPGDCNR2CNR1KDM4EKMT2A
SCHEMBL1911447 0.77 NPC1 (0.39) NPC1RAB9AARPIK3CAMTOR
SCHEMBL1911449 0.76 SOS1 (0.39) NPC1RAB9AARPIK3CAMTOR
SCHEMBL1911452 0.75 AR (0.39) NPC1RAB9AARPIK3CAALDH1A1
SCHEMBL1911454 0.75 SETDB1 (0.39) NPC1RAB9AARHPGDALDH1A1
SCHEMBL1911450 0.75 PIK3CB (0.37) NPC1RAB9AARPIK3CAALDH1A1
SCHEMBL1911451 0.73 HTT (0.45) NPC1RAB9AARMAPK1ALDH1A1

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 5 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
EP-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 WO 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 NPC1 605/4885RAB9A 4708/4885AR 1344/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC NPC1 605/4885RAB9A 4708/4885AR 1344/4885

“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.