Sugi Predict

Sugi Predict / Compounds / SCHEMBL13000095

SCHEMBL13000095

SCHEMBL13000095

CC(=O)N[C@H]1CC2(CCN(CC(=O)N3CC=CC3)CC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR2 Q969V1 11/20 0.55
▸ DRD2 P14416 2/20 0.53
▸ SLC6A4 P31645 2/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ HSD11B1 P28845 2/20 0.39
▸ HSD11B2 P80365 1/20 0.39
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ NAE1 Q13564 2/20 0.33

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
SCHEMBL13207690 0.91 MCHR2 (0.56) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL13000949 0.90 MCHR2 (0.55) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL12999925 0.88 MCHR2 (0.54) MCHR2DRD2SLC6A4KCNH2
SCHEMBL13000944 0.87 MCHR2 (0.53) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL2758250 0.86 MCHR2 (0.60) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL2758228 0.85 MCHR2 (0.61) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL2758236 0.84 MCHR2 (0.58) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL2758231 0.84 MCHR2 (0.58) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL2758269 0.83 MCHR2 (0.57) MCHR2DRD2SLC6A4KCNH2HSD11B1
SCHEMBL2758238 0.82 MCHR2 (0.57) MCHR2DRD2SLC6A4KCNH2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 — — US disclosed
US-8367691-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-02-05 — — US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 — — US disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 — — US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-7786141-B2 Dihydrospiroindene modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-31 — — US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 — — US disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 — — 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-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 MCHR2 159/4885DRD2 757/4885SLC6A4 1025/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 MCHR2 159/4885DRD2 757/4885SLC6A4 1025/4885

“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.