SCHEMBL269662

SCHEMBL269662

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1cc(Cl)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 11/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SGMS2 Q8NHU3 1/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 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 SCHEMBL270331 0.99 ANO1 (0.37) ANO1SMN1; SMN2SGMS2GAAKMT2A
SCHEMBL269206 0.92 SMN1; SMN2 (0.38) ANO1SMN1; SMN2KMT2AHPGDRAB9A
SCHEMBL268030 0.92 SMN1; SMN2 (0.38) ANO1SMN1; SMN2KMT2AHPGDRAB9A
SCHEMBL269863 0.91 ANO1 (0.45) ANO1SMN1; SMN2GAAALDH1A1HPGD
SCHEMBL267895 0.91 ANO1 (0.46) ANO1SMN1; SMN2SGMS2
Hydrochloric Acid SCHEMBL3987420 0.91 ANO1 (0.44) ANO1SMN1; SMN2KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL267380 0.91 ANO1 (0.44) ANO1SMN1; SMN2KMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL270538 0.90 ANO1 (0.45) ANO1SMN1; SMN2SGMS2
Hydrochloric Acid SCHEMBL270358 0.90 ANO1 (0.45) ANO1SMN1; SMN2SGMS2
SCHEMBL267669 0.89 ANO1 (0.45) ANO1SMN1; SMN2KMT2AALDH1A1

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
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1912946-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS Eli Lilly and Company (US) 2008-04-23 EP disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 ANO1 3344/4885SMN1; SMN2 4330/4885SGMS2 3397/4885

“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.