SCHEMBL4157302

SCHEMBL4157302

O=C1NCCCNC1CC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP7 Q9UHL4 1/20 0.32
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.30
MLNR O43193 1/20 0.30

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
SCHEMBL2458836 0.75 SLC6A2 (0.40) TSHRSMN1; SMN2LMNAHTTMLNR
SCHEMBL10842332 0.70 GHSR (0.42) LMNAMLNR
SCHEMBL14250375 0.68 HRH3 (0.35)
Hydrochloric Acid SCHEMBL5038229 0.68 HTR2C (0.46) MLNR
SCHEMBL30497365 0.67 AR (0.34)
SCHEMBL30497353 0.67 AR (0.34)
SCHEMBL4524731 0.67 GLA (0.46) GLATSHRSMN1; SMN2LMNA
SCHEMBL12552290 0.65
SCHEMBL26724598 0.64 LMNA (0.41) GLATSHRSMN1; SMN2LMNAHTT
SCHEMBL7812982 0.63

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-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor MERCK & CO., INC. 2009-05-14 US disclosed
US-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor MERCK & CO., INC. 2009-05-14 US disclosed
US-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor MERCK & CO., INC. 2009-05-14 US disclosed
WO-2008040995-A9 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LTD (GB) 2008-12-31 WO disclosed
WO-2008040995-A9 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LTD (GB) 2008-12-31 WO disclosed
WO-2008040995-A1 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 WO disclosed
WO-2008040995-A1 INDAZOLES FOR USE AS DPP-IV INHIBITORS PEAKDALE MOLECULAR LIMITED (GB) 2008-04-10 WO disclosed
WO-2006104997-A2 TARTARIC ACID SALTS OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO., INC. (US) 2006-10-05 WO disclosed
WO-2006065826-A2 PROCESS TO CHIRAL BETA AMINO ACID DERIVATIVES BY ASYMMETRIC HYDROGENATION MERCK & CO., INC. (US) 2006-06-22 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-20090124601-A1 Tartaric Acid Salts of a Dipeptidyl Peptidase-IV Inhibitor DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885

“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.