Sugi Predict

Sugi Predict / Compounds / SCHEMBL4525832

SCHEMBL4525832

SCHEMBL4525832

CN(C)C(=O)N1CCC2(CCN(C3CC4CCC(C3)N4C(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.49
▸ CHRM1 P11229 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.37
▸ OPRL1 P41146 3/20 0.37
▸ HSD11B1 P28845 2/20 0.35
▸ AXL P30530 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ PREP P48147 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ OPRM1 P35372 1/20 0.34

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
SCHEMBL12316029 0.94 KDM1A (0.46) KDM1ACHRM1CHRM2CHRM3HDAC1
SCHEMBL12315886 0.89 OPRL1 (0.39) KDM1ACHRM1CHRM2OPRL1HSD11B1
SCHEMBL12315887 0.88 CHRM1 (0.46) KDM1ACHRM1CHRM2
SCHEMBL12316020 0.88 KDM1A (0.50) KDM1AHDAC1HDAC8HDAC6HRH3
SCHEMBL1713742 0.84 CHRM1 (0.38) KDM1ACHRM1CHRM2OPRL1HSD11B1
SCHEMBL13203956 0.83 CHRM1 (0.47) CHRM1CHRM2OPRL1HSD11B1NOTUM
SCHEMBL12315888 0.83 CHRM1 (0.37) KDM1ACHRM1CHRM2OPRL1HSD11B1
SCHEMBL12315902 0.83 NOTUM (0.43) CHRM1HDAC1HDAC6OPRL1AXL
SCHEMBL12315905 0.81 NOTUM (0.41) CHRM1OPRL1AXLCSNK1DMERTK
SCHEMBL12315903 0.81 CHRM1 (0.45) CHRM1CHRM2AXLCSNK1DMERTK

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-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 — — US disclosed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 — — US disclosed
US-8263605-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-11 — — US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
US-20090227614-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
WO-2007100670-A1 SPIRO CONDENSED PIPERIDNES AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-07 — — 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 (1 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-20090227614-A1 Modulators of Muscarinic Receptors CHRM5, CHRM3, CHRM2 KDM1A 1500/4885CHRM1 5/4885CHRM2 3/4885

“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.