SCHEMBL5078738

SCHEMBL5078738

COC(C)(C)C1CCCN1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.38
BACE1 P56817 2/20 0.37
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C19 P33261 1/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
FAP Q12884 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PITRM1 Q5JRX3 1/20 0.34
PIK3C3 Q8NEB9 3/20 0.33
NUDT1 P36639 1/20 0.33
FKBP1A P62942 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL17386672 0.84 LMNA (0.40) DPP4BACE1LMNAHSD17B10CYP2C19
SCHEMBL5808993 0.82 DPP4 (0.42) DPP4LMNAHSD17B10CYP2C19DPP8
SCHEMBL4765068 0.77 DPP4 (0.38) DPP4LMNAHSD17B10CYP2C19DPP8
SCHEMBL22468655 0.74 NAMPT (0.39) DPP4LMNADPP8DPP9FAP
SCHEMBL7654045 0.74 NUDT1 (0.37) DPP4PIK3C3NUDT1
SCHEMBL4607696 0.74 NUDT1 (0.37) DPP4PIK3C3NUDT1
SCHEMBL5378515 0.74 NUDT1 (0.37) DPP4PIK3C3NUDT1
SCHEMBL27736032 0.71 DPP4 (0.38) DPP4LMNAHSD17B10CYP2C19DPP8
SCHEMBL29785152 0.71 DPP4 (0.38) DPP4LMNAHSD17B10CYP2C19DPP8
SCHEMBL27715252 0.71 DPP4 (0.38) DPP4LMNAHSD17B10CYP2C19DPP8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207156-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-26 US disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 US 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-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments PIR, SYMPK, P2RX5 DPP4 38/4885BACE1 3722/4885LMNA 1928/4885

“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.