SCHEMBL14902455

SCHEMBL14902455

CN(C)CCNC(=O)N1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.60
▸ HRH3 Q9Y5N1 1/20 0.57
▸ ADRA1D P25100 6/20 0.52
▸ ADRA1A P35348 6/20 0.52
▸ ADRA1B P35368 5/20 0.52
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ OPRD1 P41143 1/20 0.48
▸ CA7 P43166 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ F11 P03951 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
SCHEMBL14902452 0.83 CHRM4 (0.47) CHRM4HRH3OPRM1MEN1KMT2A
SCHEMBL14902442 0.81 CHRM4 (0.46) CHRM4HRH3OPRM1MEN1KMT2A
SCHEMBL14902538 0.80 EPHX2 (0.45) HRH3OPRD1OPRM1
SCHEMBL14902437 0.78 HRH3 (0.56) CHRM4HRH3ADRA1DADRA1AADRA1B
SCHEMBL14902447 0.77 CHRM4 (0.46) CHRM4HRH3OPRM1MEN1KMT2A
SCHEMBL14031243 0.76 CA12 (0.62) CHRM4HRH3ADRA1DADRA1AADRA1B
SCHEMBL2636899 0.76 CA12 (0.66) CHRM4HRH3ADRA1DADRA1AADRA1B
SCHEMBL6705783 0.76 CHRM4 (0.70) CHRM4HRH3ADRA1DADRA1AADRA1B
SCHEMBL14902525 0.75 ALDH1A1 (0.50) CHRM4OPRD1OPRM1MEN1KMT2A
SCHEMBL14902445 0.75 EPHX2 (0.44) CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194747-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INT (DE) 2018-07-12 — — US disclosed
US-20180194747-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INT (DE) 2018-07-12 — — US disclosed
US-9920035-B2 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-20 — — US disclosed
US-9920035-B2 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-20 — — US disclosed
EP-2773633-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 — — EP disclosed
US-20150336933-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INT (DE) 2015-11-26 — — US disclosed
US-20150336933-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INT (DE) 2015-11-26 — — US disclosed
US-20140228374-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 — — US disclosed
US-20140228374-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-14 — — US disclosed
US-8759349-B2 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 — — US disclosed
US-8759349-B2 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 — — US disclosed
WO-2013064450-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-10 — — WO disclosed
US-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — US disclosed
US-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 — — 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 (4 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-20180194747-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 CHRM4 1135/4885HRH3 535/4885ADRA1D 903/4885
US-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 CHRM4 1135/4885HRH3 535/4885ADRA1D 903/4885
US-20140228374-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 CHRM4 1135/4885HRH3 535/4885ADRA1D 903/4885
US-20150336933-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 CHRM4 1135/4885HRH3 535/4885ADRA1D 903/4885

“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.

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