SCHEMBL338930

SCHEMBL338930

CNCc1cc2ncc(N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
AR P10275 1/20 0.40
DPP4 P27487 2/20 0.38
CNR2 P34972 2/20 0.38
SLC2A2 P11168 1/20 0.38
PIK3CA P42336 4/20 0.37
MTOR P42345 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2A13 Q16696 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL339357 0.91 CRHR1 (0.39) CRHR1ALDH1A1NPC1RAB9AAR
SCHEMBL338903 0.91 CRHR1 (0.39) CRHR1ALDH1A1NPC1RAB9AAR
SCHEMBL1913165 0.90 CRHR1 (0.42) CRHR1ALDH1A1NPC1RAB9AAR
SCHEMBL339635 0.89 AR (0.38) CRHR1ALDH1A1NPC1RAB9AAR
SCHEMBL340129 0.89 ALDH1A1 (0.39) CRHR1ALDH1A1NPC1RAB9AAR
SCHEMBL339127 0.88 DPP4 (0.43) CRHR1ALDH1A1NPC1RAB9AAR
SCHEMBL339185 0.87 HTT (0.44) CRHR1ALDH1A1NPC1RAB9AAR
SCHEMBL338779 0.87 PIK3CB (0.38) CRHR1ALDH1A1NPC1RAB9AAR
SCHEMBL339781 0.85 ALDH1A1 (0.38) CRHR1ALDH1A1NPC1RAB9ADPP4
SCHEMBL339358 0.84 PIK3CA (0.40) CRHR1ALDH1A1NPC1RAB9AAR

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 10 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
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 CRHR1 2644/4885ALDH1A1 480/4885NPC1 605/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC CRHR1 2644/4885ALDH1A1 480/4885NPC1 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.