Sugi Predict

Sugi Predict / Compounds / SCHEMBL340176

SCHEMBL340176

SCHEMBL340176

Cc1ccc(-c2cn3c(N4CCNCC4)cnc3cc2CN)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ HTR1A P08908 6/20 0.37
▸ HTR3A P46098 5/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NMT1 P30419 2/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ HTR6 P50406 4/20 0.33
▸ SUV39H2 Q9H5I1 2/20 0.33
▸ SOS1 Q07889 1/20 0.32
▸ HTR1D P28221 3/20 0.32
▸ HTR7 P34969 3/20 0.32
▸ HTR2B P41595 3/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR1B P28222 2/20 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) DPP4CHRNB2CHRNA4HTR1AHTR3A
SCHEMBL340044 0.90 HTR1A (0.37) DPP4HTR1AHTR3ACYP1A2CYP3A4
SCHEMBL340151 0.89 NCF1 (0.36) DPP4CYP1A2CYP3A4CYP2D6HSP90AA1
SCHEMBL339811 0.88 PIK3CA (0.39) DPP4SUV39H2
SCHEMBL339764 0.86 DPP4 (0.40) DPP4CHRNB2CHRNA4HTR3ACYP1A2
SCHEMBL1913178 0.82 PAK3 (0.41) DPP4CHRNB2CHRNA4HTR1AHTR3A
SCHEMBL340037 0.80 DPP4 (0.39) DPP4
SCHEMBL338785 0.80 DPP4 (0.39) DPP4HTR1AHTR3AHTR6HTR7
SCHEMBL339243 0.78 NCF1 (0.37) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
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 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 DPP4 120/4885CHRNB2 3443/4885CHRNA4 3656/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885CHRNB2 3443/4885CHRNA4 3656/4885

“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.