SCHEMBL5220716

SCHEMBL5220716

N#Cc1c(F)cc(N2CCC(N)CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
KDM1A O60341 11/20 0.43
KDM4E B2RXH2 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
JAK1 P23458 1/20 0.38
PREP P48147 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
CHEK1 O14757 1/20 0.36
SSTR2 P30874 1/20 0.36
KDR P35968 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
SCHEMBL5117647 0.83 DPP4 (0.46) DPP4KDM4ETRPV4JAK1PREP
SCHEMBL5217653 0.80 KDM1A (0.53) KDM1A
SCHEMBL5219506 0.78 SSTR2 (0.44) DPP4KDM4EPREPDPP8DPP9
SCHEMBL4894756 0.77 DPP4 (0.45) DPP4KDM1AKDM4ETRPV4JAK1
SCHEMBL8295828 0.76 DRD2 (0.51) KDM4ETRPV4
SCHEMBL5105409 0.76 KDM4E (0.55) KDM4ETRPV4
SCHEMBL5220630 0.74 SSTR2 (0.44) SSTR2
SCHEMBL1704676 0.74 MEN1 (0.43) KDM1A
SCHEMBL19525802 0.72 TRPV4 (0.42) KDM1AKDM4ETRPV4
SCHEMBL21914101 0.72 TRPV4 (0.39) DPP4KDM4ETRPV4CHEK1

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
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity SMITHKLINE BEECHAM CORPORATION 2004-12-02 US disclosed
EP-1399433-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-24 EP disclosed
WO-2003002553-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 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-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity DPP4, DPP7, DPP3 DPP4 1/4885KDM1A 885/4885KDM4E 492/4885

“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.