SCHEMBL269406

SCHEMBL269406

OCC(Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
TAS2R14 Q9NYV8 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 3/20 0.38
MEN1 O00255 1/20 0.38
ACKR3 P25106 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL269405 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ETAS2R14GAAKMT2A
SCHEMBL268868 0.85 DPP4 (0.46) ALDH1A1KDM4EGAAKMT2ANPSR1
SCHEMBL268867 0.85 DPP4 (0.46) ALDH1A1KDM4EGAAKMT2ANPSR1
SCHEMBL1639928 0.81 TSHR (0.50) ALDH1A1GAAKMT2ANPSR1TSHR
SCHEMBL1834351 0.81 TSHR (0.50) ALDH1A1GAAKMT2ANPSR1TSHR
SCHEMBL475639 0.81 TSHR (0.50) ALDH1A1GAAKMT2ANPSR1TSHR
Bromide SCHEMBL7457265 0.80 TSHR (0.49) ALDH1A1TAS2R14GAAKMT2ANPSR1
SCHEMBL1236268 0.79 TSHR (0.55) ALDH1A1GAAKMT2ANPSR1TSHR
SCHEMBL8268882 0.78 KMT2A (0.42) TAS2R14GAAKMT2ANPSR1TSHR
SCHEMBL5063362 0.78 KMT2A (0.42) TAS2R14GAAKMT2ANPSR1TSHR

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 5 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
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
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 ALDH1A1 557/4885KDM4E 2417/4885TAS2R14 1949/4885

“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.