SCHEMBL268964

SCHEMBL268964

Cc1ccc(C)c(C[C@@H](N)[C@@H](O)Cc2ncccc2C(=O)NC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ANO1 Q5XXA6 4/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
AHR P35869 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SYK P43405 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CRHBP P24387 1/20 0.34
RECQL P46063 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 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
Hydrochloric Acid SCHEMBL268996 0.99 KDM4E (0.41) KDM4EHTTSMN1; SMN2ANO1MAPT
SCHEMBL268007 0.91 SGMS2 (0.40) KDM4EHTTSMN1; SMN2ANO1MAPT
SCHEMBL267788 0.90 ALOX5AP (0.38) KDM4EHTTSMN1; SMN2ANO1MAPT
SCHEMBL268030 0.90 SMN1; SMN2 (0.38) KDM4EHTTSMN1; SMN2ANO1MAPT
SCHEMBL269206 0.90 SMN1; SMN2 (0.38) KDM4EHTTSMN1; SMN2ANO1MAPT
SCHEMBL270276 0.90 SMN1; SMN2 (0.42) KDM4EHTTSMN1; SMN2ANO1MAPT
Hydrochloric Acid SCHEMBL269306 0.89 ALOX5AP (0.38) KDM4EHTTSMN1; SMN2ANO1MAPT
Hydrochloric Acid SCHEMBL268627 0.89 ALOX5AP (0.38) KDM4EHTTSMN1; SMN2ANO1MAPT
Hydrochloric Acid SCHEMBL268093 0.89 SMN1; SMN2 (0.42) KDM4EHTTSMN1; SMN2ANO1MAPT
SCHEMBL269498 0.88 ALOX5AP (0.38) SMN1; SMN2ANO1MAPTNPC1RAB9A

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 10 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
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 KDM4E 2417/4885HTT 4497/4885SMN1; SMN2 4330/4885

“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.