SCHEMBL3330685

SCHEMBL3330685

Cn1ncnc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 3/20 0.43
CHEK1 O14757 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MAP4K4 O95819 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL22530233 0.80 HCAR3 (0.43) RXRARXRBALDH1A1SMN1; SMN2HPGD
SCHEMBL19329088 0.74 HCAR3 (0.43) RXRARXRBALDH1A1CHEK1TP53
SCHEMBL22130302 0.74 ALDH1A1 (0.42) GPR119ALDH1A1SMN1; SMN2HPGDTP53
SCHEMBL14575819 0.72 ABCC9 (0.51) RXRARXRBALDH1A1SMN1; SMN2HPGD
SCHEMBL22530776 0.72 HDAC1 (0.43) RXRARXRBSMN1; SMN2CHEK1ADORA3
SCHEMBL17754091 0.71 PDE2A (0.39) ALDH1A1SMN1; SMN2TP53KDM4EMAPT
SCHEMBL25099090 0.71 CYP11B2 (0.55) RXRARXRBALDH1A1SMN1; SMN2HPGD
SCHEMBL11525112 0.70 NPC1 (0.54) ALDH1A1HPGDPOLBMAPTGAA
SCHEMBL29249942 0.70 TSHR (0.75) RXRARXRBALDH1A1SMN1; SMN2TP53
SCHEMBL28380921 0.70 TSHR (0.75) RXRARXRBALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469631-B2 N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them, and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-10-18 US disclosed
US-20150225390-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-13 US disclosed
EP-2892888-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2015-07-15 EP disclosed
WO-2014037327-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 WO disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 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 (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-20150225390-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF GPR18, GPR39, GPR4 GPR119 7/4885RXRA 345/4885RXRB 323/4885
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 GPR119 2349/4885RXRA 4071/4885RXRB 3517/4885

“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.