SCHEMBL339764

SCHEMBL339764

Cc1cc(Cl)ccc1-c1cn2c(N3CCNCC3)cnc2cc1CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
SOS1 Q07889 2/20 0.35
MAPKAPK2 P49137 1/20 0.35
HTR6 P50406 4/20 0.34
HTR2C P28335 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
NMT1 P30419 1/20 0.33
INPPL1 O15357 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL339424 0.90 DPP4 (0.43) DPP4ADRB2NCF1HTR3EHTR3B
SCHEMBL340044 0.90 HTR1A (0.37) DPP4ADRB2HTR3AHTR6HTR2C
SCHEMBL338770 0.89 HTR1A (0.38) NCF1HTR3AHTR6MEN1CYP1A2
SCHEMBL338621 0.88 DPP4 (0.40) DPP4MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL340176 0.86 DPP4 (0.38) DPP4HTR3ASOS1HTR6HTR2C
SCHEMBL1913178 0.82 PAK3 (0.41) DPP4ADRB2NCF1HTR3EHTR3B
SCHEMBL340037 0.80 DPP4 (0.39) DPP4
SCHEMBL338785 0.80 DPP4 (0.39) DPP4NCF1HTR3AHTR6
SCHEMBL339243 0.78 NCF1 (0.37) ADRB2NCF1HTR3EHTR3BHTR3A
SCHEMBL339235 0.78 DPP4 (0.43) DPP4CYP1A2CYP3A4

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 120/4885ADRB2 896/4885NCF1 2216/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885ADRB2 896/4885NCF1 2216/4885

“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.