Sugi Predict

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SCHEMBL339243

SCHEMBL339243

Cc1ccc(-c2cn3c(N4CCN(C)CC4)cnc3cc2CN)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.37
▸ HTR3A P46098 3/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ ACVR1 Q04771 1/20 0.33
▸ HRH4 Q9H3N8 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ S100A4 P26447 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ MAPT P10636 2/20 0.31

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
SCHEMBL338770 0.90 HTR1A (0.38) NCF1HTR3AHTR1AHRH4ALDH1A1
SCHEMBL340151 0.90 NCF1 (0.36) NCF1ACVR1HRH4CYP1A2CYP3A4
SCHEMBL340044 0.88 HTR1A (0.37) HTR3AHTR1AMEN1CYP1A2CYP3A4
SCHEMBL338617 0.88 PIK3CA (0.38) ALDH1A1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL8232635 0.85 CYP2D6 (0.32) ACVR1CYP2D6
SCHEMBL338785 0.82 DPP4 (0.39) NCF1HTR3AHTR1AHRH4ALDH1A1
SCHEMBL338621 0.78 DPP4 (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL339764 0.78 DPP4 (0.40) NCF1HTR3AMEN1CYP1A2CYP3A4
SCHEMBL339811 0.78 PIK3CA (0.39) PDE2AKDM4EMAPT
SCHEMBL340176 0.78 DPP4 (0.38) HTR3AHTR1ACYP1A2CYP3A4CYP2D6

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 NCF1 2216/4885HTR3A 2050/4885HTR1A 1887/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC NCF1 2216/4885HTR3A 2050/4885HTR1A 1887/4885

“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.