Sugi Predict

Sugi Predict / Compounds / SCHEMBL3540887

SCHEMBL3540887

SCHEMBL3540887

CNC(=O)C1=CC2(CCN(C(=O)OC(C)(C)C)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38

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
SCHEMBL6588671 0.88 PDK2 (0.47) PDK2TSHRALOX15ATMHDAC1
SCHEMBL1222505 0.87 PDK2 (0.48) PDK2TSHRALOX15ATMHDAC1
SCHEMBL3539357 0.86 ATM (0.47) PDK2TSHRALOX15ATMHDAC1
SCHEMBL7624926 0.83 PDK2 (0.45) PDK2TSHRALOX15ATMHDAC1
SCHEMBL8312411 0.80 PDK2 (0.47) PDK2TSHRALOX15ATMHDAC1
SCHEMBL8316636 0.79 PDK2 (0.47) PDK2TSHRALOX15ATMHDAC1
SCHEMBL3538782 0.78 OPRM1 (0.41) PDK2OPRK1
SCHEMBL3538217 0.78 KDM4E (0.41) PDK2TSHRALOX15ATMKDM4E
SCHEMBL12991056 0.77 L3MBTL1 (0.49) ALOX15KDM4ECHRM2CHRM4CHRM1
SCHEMBL8314426 0.75 GPR119 (0.46) PDK2TSHRALOX15ATMHDAC1

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-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 — — US disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 — — US disclosed
US-7858790-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-28 — — US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 — — US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 — — US disclosed
US-20080033002-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-02-07 — — US disclosed
WO-2008005295-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-10 — — 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-20080033002-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 PDK2 3962/4885TSHR 131/4885ALOX15 1722/4885

“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.