Sugi Predict

Sugi Predict / Compounds / SCHEMBL5093549

SCHEMBL5093549

SCHEMBL5093549

CO/C=C1/C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ CHRM3 P20309 1/20 0.55
▸ HSD11B1 P28845 1/20 0.43
▸ PREP P48147 4/20 0.43
▸ GPR119 Q8TDV5 7/20 0.37
▸ JAK1 P23458 2/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 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
SCHEMBL14098539 1.00 CHRM2 (0.55) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL23658378 1.00 CHRM2 (0.55) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL20241819 0.94 CHRM2 (0.49) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL12873750 0.85 GRM5 (0.39) CHRM2CHRM1CHRM3KCNK3KCNK9
SCHEMBL24208627 0.82 CHRM2 (0.53) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL30777200 0.82 CHRM2 (0.53) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL3132747 0.81 CHRM1 (0.38) CHRM1GPR119
SCHEMBL17517301 0.81 CHRM2 (0.51) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL17861592 0.80 CHRM2 (0.62) CHRM2CHRM1CHRM3HSD11B1PREP
SCHEMBL2708300 0.80 CHRM2 (0.62) CHRM2CHRM1CHRM3HSD11B1PREP

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
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 — — EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 — — US disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 — — EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 — — US disclosed
WO-2011059021-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 — — WO disclosed
US-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 — — US disclosed
US-20060074071-A1 Substituted arylamides CHEMOCENTRYX, INC. (US) 2006-04-06 — — 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-20060074071-A1 Substituted arylamides AADAC, BRDT, BRPF3 CHRM2 4861/4885CHRM1 4882/4885CHRM3 4821/4885
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 CHRM2 249/4885CHRM1 23/4885CHRM3 1041/4885

“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.