SCHEMBL1242566

SCHEMBL1242566

CC(C)(C)OC(=O)N1CC[C@H](c2cc(F)c(F)cc2F)[C@@H](C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.47
TACR1 P25103 1/20 0.46
PDE4B Q07343 1/20 0.45
GPR119 Q8TDV5 4/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
USP30 Q70CQ3 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3798837 0.88 SMN1; SMN2 (0.48) TACR1PDE4BGPR119USP30SMN1; SMN2
SCHEMBL3803361 0.88 SMN1; SMN2 (0.48) TACR1PDE4BGPR119USP30SMN1; SMN2
SCHEMBL3799557 0.88 SMN1; SMN2 (0.48) TACR1PDE4BGPR119USP30SMN1; SMN2
SCHEMBL3695315 0.87 GPR119 (0.47) DPP4TACR1PDE4BGPR119USP30
SCHEMBL2243905 0.86 DPP4 (0.48) DPP4TACR1PDE4BGPR119KDM4E
SCHEMBL23982326 0.85 TACR1 (0.49) TACR1PDE4BGPR119KDM4EMAPT
SCHEMBL2242055 0.85 DPP4 (0.54) DPP4DPP8DPP9DPP7
SCHEMBL557357 0.84 PDE4B (0.52) DPP4TACR1PDE4BGPR119USP30
SCHEMBL557356 0.84 PDE4B (0.52) DPP4TACR1PDE4BGPR119USP30
SCHEMBL557355 0.84 PDE4B (0.52) DPP4TACR1PDE4BGPR119USP30

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
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 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 (2 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-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885TACR1 766/4885PDE4B 72/4885
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 DPP4 1330/4885TACR1 157/4885PDE4B 1236/4885

“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.