Sugi Predict

Sugi Predict / Compounds / SCHEMBL1633735

SCHEMBL1633735

SCHEMBL1633735

C[C@H]1CN(Cc2cccc(-c3cccc(CN)c3)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.42
▸ ACACB O00763 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ NR1H2 P55055 3/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ CALCA P06881 1/20 0.36
▸ MGLL Q99685 3/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ NR1H3 Q13133 2/20 0.36
▸ MTOR P42345 1/20 0.36
▸ SETD7 Q8WTS6 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35

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
SCHEMBL4052726 0.87 CHRM3 (0.45) CHRM3MGLLKLKB1KLK1MTOR
SCHEMBL1362389 0.87 MGLL (0.41) MAP4K4NR1H2HDAC1GPR119DPP4
SCHEMBL1362603 0.85 HDAC1 (0.39) ACACBCYP1A2CYP3A4CYP2C9ACACA
SCHEMBL1632744 0.82 CHRM3 (0.43) CHRM3MAP4K4NR1H2HDAC1GPR119
SCHEMBL1467716 0.81 MGLL (0.41) MAP4K4GPR119MGLLUCHL1USP30
SCHEMBL1468730 0.81 MGLL (0.41) MAP4K4GPR119MGLLUCHL1USP30
SCHEMBL1467718 0.81 MGLL (0.41) MAP4K4GPR119MGLLUCHL1USP30
SCHEMBL1365233 0.80 CHRM3 (0.46) CHRM3
SCHEMBL13761160 0.80 CHRM3 (0.46) CHRM3
SCHEMBL1632054 0.79 FAAH (0.44) MAP4K4NR1H2HDAC1GPR119CALCA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 — — US disclosed
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 — — US disclosed
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 — — US disclosed
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 — — US disclosed
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 — — US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 — — US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 — — 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 CHRM3 1/4885ACACB 2448/4885CYP1A2 4100/4885
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 CHRM3 1/4885ACACB 210/4885CYP1A2 1275/4885

“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.