SCHEMBL15464353

SCHEMBL15464353

Cc1c(C(=O)O)noc1-c1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
ALOX5 P09917 3/20 0.43
ALOX5AP P20292 3/20 0.43
TRPA1 O75762 1/20 0.42
TP53 P04637 3/20 0.41
SMURF2 Q9HAU4 1/20 0.41
SMURF1 Q9HCE7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
DUSP3 P51452 2/20 0.40
THRB P10828 1/20 0.39
PTGER4 P35408 1/20 0.39
PIN1 Q13526 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38

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
SCHEMBL18091779 0.85 TP53 (0.44) TRPA1TP53ALDH1A1PKMTHRB
SCHEMBL5591183 0.83 IP6K1 (0.52) PTPN1ALOX5ALOX5APSMURF2SMURF1
SCHEMBL15465192 0.82 TP53 (0.46) TP53ALDH1A1THRBPOLBLMNA
SCHEMBL4076415 0.81 PTPN1 (0.67) PTPN1ALOX5ALOX5APTP53SMURF2
SCHEMBL1686250 0.80 ALOX5 (0.53) PTPN1ALOX5ALOX5APSMURF2SMURF1
SCHEMBL3704614 0.79 TRPA1 (0.56) TRPA1TP53ALDH1A1PKMTHRB
SCHEMBL15464858 0.79 SMURF1 (0.47) ALOX5ALOX5APTP53SMURF2SMURF1
SCHEMBL15464992 0.79 CYP11B2 (0.45) SMURF2SMURF1DUSP3
SCHEMBL18662466 0.78 ALDH1A1 (0.52) PTPN1ALOX5ALOX5APSMURF2SMURF1
SCHEMBL18662494 0.78 PTPN1 (0.46) PTPN1ALOX5ALOX5APSMURF2SMURF1

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
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
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
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 PTPN1 3260/4885ALOX5 141/4885ALOX5AP 129/4885
US-20160159784-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF GPR119, FFAR1, FFAR2 PTPN1 1468/4885ALOX5 180/4885ALOX5AP 161/4885

“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.