SCHEMBL1435690

SCHEMBL1435690

Cc1[c]nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.41
PPARG P37231 1/20 0.38
NOTUM Q6P988 1/20 0.35
NPBWR1 P48145 1/20 0.35
PIN1 Q13526 1/20 0.35
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
SCN2A Q99250 2/20 0.34
RXRG P48443 2/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
HRH1 P35367 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
KMT2A Q03164 1/20 0.31
KIF11 P52732 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31

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
SCHEMBL1436077 0.83 SCN2A (0.54) IKBKBPIN1SCN2AHRH1HRH4
SCHEMBL1435664 0.82 GFER (0.45) NPBWR1SCN2AKIF11
SCHEMBL1435962 0.67 KCNH2 (0.48)
SCHEMBL316575 0.67 POLB (0.44) PIN1SCN2A
SCHEMBL1435540 0.67 MGAM (0.51) PIN1
SCHEMBL1436021 0.67 NISCH (0.44)
SCHEMBL9482063 0.66 RXRA (0.54) IKBKBRXRARXRBRXRGRAPGEF4
SCHEMBL5636507 0.66 IKBKB (0.36) IKBKBPPARGNPBWR1PIN1RXRA
SCHEMBL1435894 0.66 PIN1 (0.46) NOTUMNPBWR1PIN1
SCHEMBL11246854 0.64 PPARG (0.38) IKBKBPPARGNPBWR1PIN1SCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 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 (3 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-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 IKBKB 1734/4885PPARG 1598/4885NOTUM 1002/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 IKBKB 1888/4885PPARG 2034/4885NOTUM 1136/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 IKBKB 1734/4885PPARG 1598/4885NOTUM 1002/4885

“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.