SCHEMBL2890718

SCHEMBL2890718

O=C1CNCC2=CCCN12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33

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
SCHEMBL1997347 0.69 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9940938 0.68 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL12186684 0.67 TSHR (0.33)
SCHEMBL1000578 0.61
SCHEMBL5027912 0.60 ALDH1A1 (0.39)
SCHEMBL31585580 0.58
SCHEMBL17062760 0.58
SCHEMBL26831156 0.56
SCHEMBL10606521 0.56
SCHEMBL532873 0.56 NPC1 (0.50) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368524-B1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-08-18 EP disclosed
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-05 US disclosed
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-08 US disclosed
EP-3368524-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Boehringer Ingelheim International GmbH (DE) 2018-09-05 EP disclosed
WO-2017158151-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
WO-2017072021-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-04 WO disclosed
EP-2651891-B1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
EP-2651891-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-10-23 EP disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO disclosed
US-7807678-B2 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. (US) 2010-10-05 US disclosed
US-7326707-B2 Bicyclic melanocortin-specific compounds PALATIN TECHNOLOGIES INCORPORATED (US) 2008-02-05 US disclosed
EP-1425029-A4 PEPTIDOMIMETICS OF BIOLOGICALLY ACTIVE METALLOPEPTIDES PALATIN TECHNOLOGIES INC (US) 2006-06-07 EP disclosed
WO-2005079574-A1 BICYCLIC MELANOCORIN-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2005-09-01 WO disclosed
US-20040171520-A1 Peptidomimetics of biologically active metallopeptides PALATIN TECHNOLOGIES, INC. 2004-09-02 US disclosed
US-20040152134-A1 Bicyclic melanocortin-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2004-08-05 US disclosed
EP-1425029-A1 PEPTIDOMIMETICS OF BIOLOGICALLY ACTIVE METALLOPEPTIDES Palatin Technologies, Inc. (US) 2004-06-09 EP disclosed
WO-2003013571-A1 PEPTIDOMIMETICS OF BIOLOGICALLY ACTIVE METALLOPEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2003-02-20 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 (5 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-20040171520-A1 Peptidomimetics of biologically active metallopeptides MC1R, MC4R, MC5R SLC6A2 2459/4885SLC6A4 1821/4885SLC6A3 1909/4885
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, CCR1 SLC6A2 3475/4885SLC6A4 4174/4885SLC6A3 3816/4885
US-10640486-B2 Heteroarylcarboxamide derivatives as plasma kallikrein inhibitors KLKB1, BDKRB1, BDKRB2 SLC6A2 2968/4885SLC6A4 3638/4885SLC6A3 2207/4885
US-20180319771-A1 HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, BDKRB1, BDKRB2 SLC6A2 2968/4885SLC6A4 3638/4885SLC6A3 2207/4885
US-20040152134-A1 Bicyclic melanocortin-specific compounds MC3R, MC5R, MC2R SLC6A2 389/4885SLC6A4 426/4885SLC6A3 315/4885

“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.