SCHEMBL1154422

SCHEMBL1154422

CC(C)(C)[C@]1(C(N)=O)C[C@@H](OC(=O)c2ccccc2)CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CHRNA7 P36544 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
DPP7 Q9UHL4 1/20 0.36

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
Hydrochloric Acid SCHEMBL5524601 0.68 GAA (0.48) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL19720352 0.67 TSHR (0.68) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL9041038 0.67 TSHR (0.71) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL9242068 0.66 TSHR (0.70) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL9242258 0.66 TSHR (0.78) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL243559 0.66 TSHR (0.70) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL51072 0.66 TSHR (0.70) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL294975 0.66 TSHR (0.70) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL7190461 0.65 GAA (0.57) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL4453290 0.64 MEN1 (0.69) GAATSHRKMT2AMEN1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893103-B2 Dipeptidyl peptidase IV (DPP-IV); industrial scale process of making antidiabetics such as (2S,4S)-1-{2-[(3SR,1RS)-3-(1H-1,2,4-Triazol-1-ylmethyl)cyclopentylamino]acetyl}-4-fluoro-pyrrolidine-2-carbonitrile starting from ethyl glyoxalate and 3-(1H-1,2,4-triazol-1-ylmethyl)cyclopententylamine for example GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-02-22 US disclosed
EP-2035395-A2 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-03-18 EP disclosed
US-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-03-27 US disclosed
WO-2008001195-A2 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-03 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-20080076818-A1 NOVEL PROCESSES FOR THE PREPARATION OF DPP IV INHIBITORS DPP4, DPP7, DPP3 GAA 513/4885TSHR 2467/4885KMT2A 2846/4885

“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.