SCHEMBL15464372

SCHEMBL15464372

CC(C)(C)OC(=O)c1csc(-c2ccc(C#N)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.57
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
CDC25C P30307 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SCN10A Q9Y5Y9 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
SCHEMBL14482064 0.85 MAOA (0.51) ALDH1A1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL18003061 0.82 RAB9A (0.65) ALDH1A1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL29660342 0.81 HPGDS (0.59) HPGDSALDH1A1RAB9AGAAKDM4E
SCHEMBL15464742 0.79 ALDH1A1 (0.65) HPGDSALDH1A1RAB9AKDM4ECDC25A
SCHEMBL31340960 0.79 EGLN2 (0.47) GAAKDM4ECDC25ACDC25BCDC25C
SCHEMBL17712263 0.76 HPGDS (0.46) HPGDSALDH1A1RAB9AGAAKDM4E
SCHEMBL15465446 0.75 GPR119 (0.69)
SCHEMBL3958420 0.74 HPGDS (0.59) HPGDSALDH1A1RAB9AGAAHPGD
SCHEMBL16055863 0.73 HPGDS (0.59) HPGDSALDH1A1RAB9AGAANPC1
SCHEMBL29910977 0.73 MAOA (0.61) ALDH1A1RAB9AGAANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926308-B2 N-cyclopropyl-N-piperidinyl-amides, pharmaceutical compositions containing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-27 US disclosed
EP-2880027-B1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-09-28 EP disclosed
US-20160159784-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 US disclosed
EP-2880027-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2015-06-10 EP disclosed
US-20140045823-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2014-02-13 US disclosed
WO-2014019967-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-06 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-20140045823-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF GPR180, GPR119, CNR1 HPGDS 262/4885ALDH1A1 1306/4885RAB9A 1152/4885
US-20160159784-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF GPR119, FFAR1, FFAR2 HPGDS 286/4885ALDH1A1 2678/4885RAB9A 682/4885

“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.