Sugi Predict

Sugi Predict / Compounds / SCHEMBL7624926

SCHEMBL7624926

SCHEMBL7624926

CCOC(=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 2/20 0.45
▸ APP P05067 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.39

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
SCHEMBL13542617 0.88 GPR119 (0.41) PDK2ATMGAASMN1; SMN2MEN1
SCHEMBL8316463 0.86 MEN1 (0.42) PDK2APPTSHRALOX15ATM
SCHEMBL1222505 0.85 PDK2 (0.48) PDK2TSHRALOX15ATMHDAC1
SCHEMBL14272829 0.85 L3MBTL1 (0.47) PDK2APPTSHRALOX15ATM
SCHEMBL3540887 0.83 PDK2 (0.46) PDK2TSHRALOX15ATMHDAC1
SCHEMBL3539357 0.82 ATM (0.47) PDK2TSHRALOX15ATMHDAC1
SCHEMBL14272857 0.82 L3MBTL1 (0.42) APPALOX15GAASMN1; SMN2MEN1
SCHEMBL12991343 0.81 OPRM1 (0.42) PDK2
SCHEMBL8312411 0.78 PDK2 (0.47) 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-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-6410548-B2 THERAPY FOR OBESITY, DIABETES, SEXUAL DISORDERS MERCK & CO., INC. 2002-06-25 — — US disclosed
US-20010029259-A1 Spiropiperidine derivatives as melanocortin receptor agonists MERCK SHARP & DOHME CORP. 2001-10-11 — — US disclosed
US-6294534-B1 TREATMENT OF DISORDERS RESPONSIVE TO THE ACTIVATION OF MELANOCORTIN RECEPTORS, SUCH AS OBESITY, DIABETES OR MALE OR FEMALE SEXUAL DYSFUNCTION. MERCK & CO., INC. 2001-09-25 — — 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-20010029259-A1 Spiropiperidine derivatives as melanocortin receptor agonists MC5R, MC4R, MC3R PDK2 1786/4885APP 3985/4885TSHR 184/4885
US-20080033002-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 PDK2 3962/4885APP 2815/4885TSHR 131/4885

“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.