SCHEMBL15465244

SCHEMBL15465244

COC(=O)c1ncn(-c2ccc(C#N)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.60
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
ACKR3 P25106 1/20 0.46
MAPT P10636 9/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
USP30 Q70CQ3 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
SCHEMBL20594696 0.84 NOTUM (0.58) NOTUMMAPTSMN1; SMN2TP53POLB
SCHEMBL30309900 0.84 NOTUM (0.58) NOTUMMAPTSMN1; SMN2TP53POLB
SCHEMBL29194973 0.83 NOTUM (0.47) NOTUMCYP11B1CYP11B2MAPTEGLN2
SCHEMBL15464739 0.82 ACKR3 (0.47) NOTUMACKR3MAPTSMN1; SMN2TP53
SCHEMBL15754539 0.81 NOTUM (0.64) NOTUMMAPTSMN1; SMN2TP53POLB
SCHEMBL4548449 0.81 NOTUM (0.64) NOTUMMAPTSMN1; SMN2TP53POLB
SCHEMBL15286812 0.81 NOTUM (0.64) NOTUMMAPTSMN1; SMN2TP53POLB
SCHEMBL15465711 0.80 NOTUM (0.47) NOTUMCYP11B1CYP11B2TP53EGLN2
SCHEMBL18581270 0.77 NOTUM (0.59) NOTUMMAPTSMN1; SMN2TP53POLB
SCHEMBL25278847 0.75 NOTUM (0.60) NOTUMMAPTSMN1; SMN2TP53POLB

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-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
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 NOTUM 3219/4885CYP11B1 613/4885CYP11B2 614/4885
US-20160159784-A1 N-CYCLOPROPYL-N-PIPERIDINYL-AMIDES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USES THEREOF GPR119, FFAR1, FFAR2 NOTUM 2266/4885CYP11B1 713/4885CYP11B2 795/4885

“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.