SCHEMBL338779

SCHEMBL338779

Clc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CNCc2ccccc2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 3/20 0.38
PIK3CA P42336 2/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 1/20 0.36
CRHR1 P34998 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 2/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK8 P45983 1/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR1 P21554 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 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
SCHEMBL339357 0.88 CRHR1 (0.39) PIK3CBPIK3CAALDH1A1NPC1RAB9A
SCHEMBL338930 0.87 CRHR1 (0.41) PIK3CBPIK3CAALDH1A1NPC1RAB9A
SCHEMBL339635 0.86 AR (0.38) PIK3CAALDH1A1NPC1RAB9AAR
SCHEMBL1911450 0.85 PIK3CB (0.37) PIK3CBPIK3CAALDH1A1NPC1RAB9A
SCHEMBL339185 0.84 HTT (0.44) PIK3CAALDH1A1NPC1RAB9AAR
SCHEMBL338903 0.84 CRHR1 (0.39) PIK3CBPIK3CAALDH1A1NPC1RAB9A
SCHEMBL339127 0.83 DPP4 (0.43) PIK3CAALDH1A1NPC1RAB9AAR
SCHEMBL1913165 0.83 CRHR1 (0.42) PIK3CAALDH1A1NPC1RAB9AAR
SCHEMBL340129 0.82 ALDH1A1 (0.39) ALDH1A1NPC1RAB9AARCRHR1
SCHEMBL339358 0.80 PIK3CA (0.40) PIK3CAALDH1A1NPC1RAB9AAR

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-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-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 PIK3CB 1777/4885PIK3CA 1666/4885ALDH1A1 480/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PIK3CB 1777/4885PIK3CA 1666/4885ALDH1A1 480/4885

“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.