SCHEMBL1423800

SCHEMBL1423800

CN1CCc2c(C(F)(F)F)n[nH]c2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
RBP4 P02753 3/20 0.41
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
KDM4E B2RXH2 1/20 0.36
GRIA2 P42262 1/20 0.33
NR2F2 P24468 1/20 0.32
CHRNA7 P36544 1/20 0.30
P2RX7 Q99572 1/20 0.30
SPR P35270 1/20 0.30

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
SCHEMBL1423862 0.87 CYP2C19 (0.62) CYP2C19RBP4DPP4DPP8DPP9
SCHEMBL12182097 0.80 DPP4 (0.39) CYP2C19RBP4DPP4DPP8DPP9
SCHEMBL14970433 0.77 RBP4 (0.53) RBP4DPP4DPP8DPP9DPP7
SCHEMBL34469152 0.76 DPP4 (0.39) RBP4DPP4DPP8DPP9DPP7
SCHEMBL17232727 0.75 CYP2C19 (0.55) CYP2C19RBP4KDM4ECHRNA7
SCHEMBL5644483 0.75 DPP4 (0.50) RBP4DPP4DPP8DPP9DPP7
SCHEMBL19454319 0.74 CYP2C19 (0.43) CYP2C19RBP4KDM4E
SCHEMBL12811132 0.73 CYP2C19 (0.49) CYP2C19RBP4KDM4ECHRNA7
SCHEMBL16572331 0.73 CYP2C19 (0.49) CYP2C19RBP4KDM4ECHRNA7
SCHEMBL1424003 0.72 DPP4 (0.46) RBP4DPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
EP-2571876-B1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
EP-2086643-B1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LTD (GB) 2011-03-23 EP disclosed
US-20100137276-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED 2010-06-03 US disclosed
US-20100137276-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED 2010-06-03 US disclosed
US-20100137276-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED 2010-06-03 US disclosed
EP-2086643-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE Glaxo Group Limited (GB) 2009-08-12 EP disclosed
WO-2008113795-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-25 WO disclosed
WO-2008113795-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-09-25 WO disclosed
WO-2008053031-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-05-08 WO disclosed
WO-2008053031-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-05-08 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 (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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 CYP2C19 4852/4885RBP4 3689/4885DPP4 2232/4885
US-20100137276-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GRIN1, GRM2, GRIN3A CYP2C19 1586/4885RBP4 2599/4885DPP4 2079/4885

“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.