SCHEMBL5222222

SCHEMBL5222222

N#Cc1cc(F)cc(N2CC[C@H](CN)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.59
CHRM2 P08172 2/20 0.44
CHRM4 P08173 4/20 0.42
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
PREP P48147 1/20 0.41
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
NOTUM Q6P988 1/20 0.37
GRM5 P41594 2/20 0.36
KDM1A O60341 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 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
SCHEMBL5219539 0.86 CHRM2 (0.44) BPTFCHRM2CHRM4DPP4DPP8
SCHEMBL5220358 0.86 CHRM2 (0.46) BPTFCHRM2CHRM4DPP4DPP8
SCHEMBL30309908 0.80 BPTF (0.64) BPTFCHRM2CHRM4DRD2DRD3
SCHEMBL29012566 0.80 BPTF (0.64) BPTFCHRM2CHRM4DRD2DRD3
SCHEMBL30194608 0.80 BPTF (0.64) BPTFCHRM2CHRM4DRD2DRD3
SCHEMBL25080895 0.80 BPTF (0.64) BPTFCHRM2CHRM4DRD2DRD3
SCHEMBL5219506 0.79 SSTR2 (0.44) CHRM2CHRM4DPP4DPP8DPP9
SCHEMBL4898070 0.73 DPP4 (0.47) CHRM2CHRM4DPP4DPP8DPP9
SCHEMBL18825950 0.72 FADS1 (0.41) CHRM2CHRM4DPP4DPP8DPP9
SCHEMBL12483401 0.72 DPP4 (0.38) CHRM2CHRM4DPP4DPP8DPP9

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
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

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 BPTF 3999/4885CHRM2 4861/4885CHRM4 4638/4885

“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.