SCHEMBL1911548

SCHEMBL1911548

[C-]#[N+]c1c(-c2ccc(Cl)cc2Cl)cn2c(N3CCOCC3)cnc2c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
AR P10275 1/20 0.39
CNR2 P34972 2/20 0.38
DPP4 P27487 2/20 0.36
PIK3CA P42336 5/20 0.35
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PIK3R1 P27986 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
THRB P10828 1/20 0.33
MTOR P42345 1/20 0.33

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
SCHEMBL1911545 0.90 CRHR1 (0.42) CRHR1NPC1RAB9AARCNR2
SCHEMBL339017 0.83 DPP4 (0.48) CRHR1NPC1RAB9AARCNR2
SCHEMBL8232552 0.82 CRHR1 (0.43) CRHR1NPC1RAB9AARCNR2
SCHEMBL339783 0.82 PIK3CA (0.44) CRHR1NPC1RAB9AARCNR2
SCHEMBL339025 0.79 DPP4 (0.48) CRHR1NPC1RAB9AARCNR2
SCHEMBL338698 0.76 PIK3CA (0.46) CRHR1NPC1RAB9AARCNR2
SCHEMBL338627 0.76 DPP4 (0.45) CRHR1NPC1RAB9AARCNR2
SCHEMBL339289 0.74 DPP4 (0.46) CRHR1NPC1RAB9AARCNR2
SCHEMBL339026 0.74 DPP4 (0.46) CRHR1NPC1RAB9AARCNR2
SCHEMBL338626 0.73 DPP4 (0.45) CRHR1NPC1RAB9AARCNR2

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 CRHR1 2644/4885NPC1 605/4885RAB9A 4708/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC CRHR1 2644/4885NPC1 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.