SCHEMBL5344758

SCHEMBL5344758

Cn1cncc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.53
GPR119 Q8TDV5 1/20 0.47
GSK3B P49841 5/20 0.46
DYRK1A Q13627 5/20 0.46
CHEK1 O14757 3/20 0.46
WNT1 P04628 1/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
LDLR P01130 1/20 0.45
PCSK9 Q8NBP7 1/20 0.45
RORC P51449 1/20 0.45
IDO1 P14902 2/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
SRC P12931 1/20 0.44
ADH5 P11766 1/20 0.44
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL7821311 0.84 ADH5 (0.54) HPGDSGSK3BDYRK1AWNT1CLK2
SCHEMBL5351176 0.82 GSK3B (0.49) HPGDSGPR119GSK3BDYRK1AWNT1
SCHEMBL17728960 0.81 IDO1 (0.59) HPGDSGSK3BDYRK1ALDLRPCSK9
SCHEMBL12263261 0.80 HPGD (0.44) CHEK1IDO1MKNK1MKNK2ADH5
SCHEMBL28540060 0.79 HTR7 (0.46) IDO1MKNK1MKNK2SRCADH5
SCHEMBL10985317 0.78 IDO1 (0.53) HPGDSGPR119GSK3BDYRK1AWNT1
SCHEMBL1502339 0.76 IDO1 (0.51) HPGDSGPR119GSK3BDYRK1ACHEK1
SCHEMBL5779858 0.76 SMN1; SMN2 (0.55) GSK3BDYRK1AWNT1IDO1CYP3A4
SCHEMBL21857535 0.75 KMT2A (0.56) HPGDSGSK3BDYRK1AWNT1IDO1
SCHEMBL28531484 0.75 IDO1 (0.47) HPGDSGPR119GSK3BDYRK1AWNT1

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
EP-2892888-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed
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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US disclosed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US disclosed
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US disclosed
EP-1633701-A1 BENZAMIDE NITRILE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP disclosed
WO-2004106285-A1 BENZAMIDE NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO disclosed
WO-2004106285-A1 BENZAMIDE NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO disclosed
US-20040248949-A1 Benzamide nitriles ROCHE PALO ALTO LLC 2004-12-09 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-20150225390-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND USES THEREOF GPR18, GPR39, GPR4 HPGDS 436/4885GPR119 7/4885GSK3B 4325/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HPGDS 205/4885GPR119 2110/4885GSK3B 3045/4885
US-20040248949-A1 Benzamide nitriles CTSK, CTSS, CMA1 HPGDS 3367/4885GPR119 1447/4885GSK3B 4679/4885

“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.