SCHEMBL5217653

SCHEMBL5217653

N#Cc1ccc(N2CCC(N)CC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.53
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
AR P10275 1/20 0.45

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
SCHEMBL22570938 0.85 AR (0.58) KDM1AIDO1TDO2AR
SCHEMBL30895187 0.82 CYP11B1 (0.51) KDM1AIDO1TDO2AR
SCHEMBL17941593 0.81 AR (0.57) AR
SCHEMBL15976200 0.81 CYP11B1 (0.50) KDM1AIDO1TDO2AR
SCHEMBL142269 0.81 CYP11B1 (0.50) KDM1AIDO1TDO2AR
SCHEMBL1704676 0.80 MEN1 (0.43) KDM1AIDO1TDO2
SCHEMBL5220716 0.80 DPP4 (0.46) KDM1A
SCHEMBL4635204 0.79 DPP4 (0.47) KDM1AIDO1TDO2AR
SCHEMBL1237566 0.78 KDM4E (0.63) IDO1TDO2
SCHEMBL2944271 0.78 DRD2 (0.55)

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 KDM1A 885/4885IDO1 271/4885TDO2 1979/4885

“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.