SCHEMBL14902452

SCHEMBL14902452

CN(C)CCNC(=O)N1CCC(C#N)(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KCNH2 Q12809 2/20 0.41
▸ OPRM1 P35372 2/20 0.41
▸ OPRL1 P41146 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL14902447 0.94 CHRM4 (0.46) CHRM4ALDH1A1LMNAKCNH2OPRM1
SCHEMBL14902442 0.89 CHRM4 (0.46) CHRM4ALDH1A1LMNAKCNH2OPRM1
SCHEMBL14902445 0.83 EPHX2 (0.44) CHRM4ALDH1A1LMNAKCNH2EPHX2
SCHEMBL14902455 0.83 CHRM4 (0.60) CHRM4OPRM1HRH3MEN1KMT2A
SCHEMBL14902525 0.82 ALDH1A1 (0.50) CHRM4ALDH1A1LMNAOPRM1OPRL1
SCHEMBL14902472 0.81 KDM4E (0.45) ALDH1A1LMNAOPRM1OPRL1HRH3
SCHEMBL14902448 0.81 CHRM4 (0.46) CHRM4ALDH1A1LMNAKCNH2SIGMAR1
SCHEMBL14902446 0.79 SIGMAR1 (0.48) CHRM4ALDH1A1LMNAKCNH2SIGMAR1
SCHEMBL14902432 0.79 CYP3A4 (0.51) ALDH1A1POLBSMN1; SMN2
SCHEMBL14902449 0.78 KCNH2 (0.38) CHRM4ALDH1A1LMNAKCNH2OPRM1

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 1135/4885ALDH1A1 1056/4885LMNA 495/4885
US-20130109697-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 CHRM4 1135/4885ALDH1A1 1056/4885LMNA 495/4885
US-20140228374-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 CHRM4 1135/4885ALDH1A1 1056/4885LMNA 495/4885
US-20150336933-A1 Heterocyclic compounds, medicaments containing said compounds, use thereof and processes for the preparation thereof SCNN1B, SCNN1A, TRPM5 CHRM4 1135/4885ALDH1A1 1056/4885LMNA 495/4885

“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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