SCHEMBL15465637

SCHEMBL15465637

CCOC(=O)c1cnc(-c2cnco2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NLRP3 Q96P20 1/20 0.40
IMPDH2 P12268 2/20 0.40
NAMPT P43490 1/20 0.39
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL15464946 0.77 ROCK2 (0.39) HDAC4IMPDH2ALDH1A1CYP2D6NPC1
SCHEMBL414791 0.77 NAMPT (0.46) HDAC4HDAC6NAMPTCDC7DBF4
Hydrochloric Acid SCHEMBL29099329 0.76 NAMPT (0.45) HDAC4HDAC6NAMPTCDC7DBF4
SCHEMBL19556335 0.75 HDAC4 (0.43) HDAC4HDAC6NLRP3CDC7DBF4
SCHEMBL15464500 0.75 CYP1A2 (0.43) NLRP3IMPDH2NAMPTCDC7DBF4
SCHEMBL17776507 0.74 TARBP2 (0.56) CDC7DBF4ALDH1A1NPC1RAB9A
SCHEMBL1539500 0.74 NLRP3 (0.46) HDAC4HDAC6NLRP3CDC7DBF4
SCHEMBL3715054 0.74 NLRP3 (0.48) HDAC4HDAC6NLRP3CDC7DBF4
SCHEMBL22436921 0.73 KDM4E (0.52) CDC7DBF4ALDH1A1NPC1RAB9A
SCHEMBL3496663 0.72 TSHR (0.47) HDAC4HDAC6ALDH1A1NPC1RAB9A

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 12 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
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
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
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
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
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
US-20140045823-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF NEUROCRINE BIOSCIENCES, INC. (US) 2014-02-13 US 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
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 HDAC4 2680/4885HDAC6 2418/4885NLRP3 2001/4885
US-20160159784-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF GPR119, FFAR1, FFAR2 HDAC4 2460/4885HDAC6 2218/4885NLRP3 1354/4885

“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.