Sugi Predict

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SCHEMBL338770

SCHEMBL338770

Cc1cc(Cl)ccc1-c1cn2c(N3CCN(C)CC3)cnc2cc1CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HRH4 Q9H3N8 6/20 0.36
▸ HTR3A P46098 3/20 0.36
▸ NCF1 P14598 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CNR1 P21554 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL338785 0.91 DPP4 (0.39) HTR1ADRD2HTR7HTR6POLB
SCHEMBL339243 0.90 NCF1 (0.37) HTR1AALDH1A1HRH4HTR3ANCF1
SCHEMBL339764 0.89 DPP4 (0.40) HTR6HTR3ANCF1MEN1KMT2A
SCHEMBL338621 0.89 DPP4 (0.40) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL340151 0.86 NCF1 (0.36) POLBHRH4NCF1KDM4EHSD17B10
SCHEMBL339768 0.82 ACVR1 (0.36) KMT2ACNR1KCNH2
SCHEMBL340037 0.81 DPP4 (0.39) ALDH1A1KDM4ECNR1
SCHEMBL1911442 0.79 DPP4 (0.34) CYP1A2CYP3A4CYP2C19AKT1
SCHEMBL339494 0.79 SLC2A1 (0.43) AKT1
SCHEMBL339424 0.78 DPP4 (0.43) HTR1AHTR3ANCF1CYP1A2CYP3A4

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 HTR1A 1887/4885DRD2 2219/4885HTR7 1626/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC HTR1A 1887/4885DRD2 2219/4885HTR7 1626/4885

“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.