SCHEMBL3170271

SCHEMBL3170271

N#CC1(Cc2ccc(F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.38
IDO1 P14902 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
HSD11B1 P28845 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
AQP1 P29972 1/20 0.35
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MIF P14174 1/20 0.34
NAAA Q02083 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
ESR1 P03372 3/20 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
SCHEMBL3151260 0.92 ALDH1A1 (0.38) GRIA2IDO1LOXL2HSD11B1MAOA
SCHEMBL13308398 0.91 ALDH1A1 (0.40) IDO1LOXL2HSD11B1MAOAMAOB
SCHEMBL22728342 0.91 ALDH1A1 (0.40) IDO1LOXL2HSD11B1MAOAMAOB
SCHEMBL2796832 0.88 SLC6A2 (0.39) GRIA2MAOAMAOBAQP1FPR2
Hydrochloric Acid SCHEMBL4635148 0.86 SLC6A2 (0.38) GRIA2MAOAMAOBFPR2PROKR1
SCHEMBL3353843 0.81 CYP2D6 (0.42) GRIA2MAOAMAOBAQP1FPR2
Hydrochloric Acid SCHEMBL22719271 0.80 CYP2D6 (0.41) GRIA2MAOAMAOBFPR2PROKR1
SCHEMBL23630297 0.80 FPR2 (0.48) IDO1HSD11B1MAOAMAOBFPR2
SCHEMBL6921 0.80 BACE1 (0.47) IDO1HSD11B1MAOAMAOBFPR2
SCHEMBL12027332 0.80 FPR2 (0.40) IDO1HSD11B1FPR2PROKR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862457-B1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORP (US) 2010-01-20 EP disclosed
EP-1862457-A2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SmithKline Beecham Corporation (US) 2007-12-05 EP disclosed
EP-1406873-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-09-26 EP disclosed
US-7132443-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINEBEECHAM CORPORATION (US) 2006-11-07 US disclosed
US-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-09-02 US disclosed
EP-1406873-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-14 EP disclosed
WO-2003002531-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-20040171848-A1 Fluoropyrrolidines as dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 GRIA2 3511/4885IDO1 2847/4885LOXL2 3104/4885

“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.