SCHEMBL14067448

SCHEMBL14067448

CS(=O)(=O)Nc1ccc2c(c1)CNC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.55
DRD2 P14416 2/20 0.55
DRD3 P35462 2/20 0.55
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KEAP1 Q14145 1/20 0.44
PNMT P11086 1/20 0.44
TDP2 O95551 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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 SCHEMBL28416949 0.98 HTR6 (0.53) HTR6DRD2DRD3ALDH1A1HPGD
Hydrochloric Acid SCHEMBL31084057 0.98 HTR6 (0.53) HTR6DRD2DRD3ALDH1A1HPGD
SCHEMBL29868252 0.88 HTR6 (0.51) HTR6DRD2DRD3HTR2AHTR2C
SCHEMBL8115507 0.86 HTR6 (0.55) HTR6DRD2DRD3HTR2AHTR2C
Hydrochloric Acid SCHEMBL29868235 0.86 HTR6 (0.50) HTR6DRD2DRD3HTR2AHTR2C
SCHEMBL3249580 0.86 PNMT (0.62) HTR6DRD2DRD3HTR2AHTR2C
Hydrochloric Acid SCHEMBL4789165 0.85 HTR6 (0.54) HTR6DRD2DRD3HTR2AHTR2C
SCHEMBL10360424 0.79 HTR6 (0.66) HTR6DRD2DRD3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7014506 0.77 HTR6 (0.64) HTR6DRD2DRD3ALDH1A1LMNA
SCHEMBL19407006 0.76 DRD2 (0.42) HTR6DRD2DRD3ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018891-B Substituted amino six-membered saturated heteroalicyclic as long acting DPP-IV inhibitors 正大天晴药业集团股份有限公司 2021-12-03 CN disclosed
CN-111018891-A Substituted amino six-membered saturated heteroalicyclic as long acting DPP-IV inhibitors 正大天晴药业集团股份有限公司 2020-04-17 CN disclosed
US-10155775-B2 Substituted amino six-membered saturated heteroalicycles as long-acting DPP-IV inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-12-18 US disclosed
US-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-04-26 US disclosed
US-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-04-26 US disclosed
EP-3257857-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR Centaurus BioPharma Co., Ltd. (CN) 2017-12-20 EP disclosed
EP-3257857-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR Centaurus BioPharma Co., Ltd. (CN) 2017-12-20 EP disclosed
WO-2016127916-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROCYCLIC FAT USED AS LONG-ACTING DPP-IV INHIBITOR 北京赛林泰医药技术有限公司 2016-08-18 WO disclosed
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP 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-20180111950-A1 SUBSTITUTED AMINO SIX-MEMBERED SATURATED HETEROALICYCLES AS LONG-ACTING DPP-IV INHIBITORS DPP4, DPP7, DPP9 HTR6 26/4885DRD2 1156/4885DRD3 1933/4885
US-10155775-B2 Substituted amino six-membered saturated heteroalicycles as long-acting DPP-IV inhibitors DPP4, DPP7, DPP9 HTR6 26/4885DRD2 1156/4885DRD3 1933/4885

“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.