SCHEMBL269828

SCHEMBL269828

CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EGLN1 Q9GZT9 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RAB9A P51151 1/20 0.36
DHODH Q02127 1/20 0.36
CAPN1 P07384 1/20 0.35
PRKCI P41743 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35

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 SCHEMBL268993 0.99 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AEGLN1L3MBTL1
SCHEMBL269653 0.90 ANO1 (0.40) SMN1; SMN2KMT2ACNR1CNR2DHODH
SCHEMBL269454 0.89 ANO1 (0.45) SMN1; SMN2L3MBTL1NPC1ALDH1A1MAPT
SCHEMBL268754 0.87 ALOX5AP (0.39) SMN1; SMN2KMT2ACAPN1
SCHEMBL269662 0.86 ANO1 (0.38) SMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL269863 0.85 ANO1 (0.45) SMN1; SMN2RAB9AALDH1A1
Hydrochloric Acid SCHEMBL270331 0.85 ANO1 (0.37) SMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL267669 0.84 ANO1 (0.45) SMN1; SMN2MEN1KMT2ATSHRALDH1A1
SCHEMBL270168 0.84 SMN1; SMN2 (0.39) SMN1; SMN2EGLN1CAPN1PRKCI
Hydrochloric Acid SCHEMBL3987420 0.84 ANO1 (0.44) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1

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 SMN1; SMN2 4330/4885MEN1 4351/4885KMT2A 3516/4885

“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.