SCHEMBL380486

SCHEMBL380486

ClC(N1CCCC1)N1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.33
CYP1A2 P05177 4/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2D6 P10635 4/20 0.32
CYP2C9 P11712 4/20 0.32
KCNA5 P22460 4/20 0.32
CYP2C19 P33261 4/20 0.32
KCNH2 Q12809 4/20 0.32
KCNE1 P15382 1/20 0.31

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
SCHEMBL13319165 0.81 TSHR (0.37) FDPS
SCHEMBL5932057 0.79 FDPS (0.48) FDPS
SCHEMBL3900432 0.77
SCHEMBL1741714 0.74
SCHEMBL11582857 0.74 FDPS (0.38) FDPSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1339269 0.72
Bromide SCHEMBL2225990 0.69
Hydrochloric Acid SCHEMBL1897139 0.69
SCHEMBL14136210 0.69 FDPS (0.35) FDPSCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL827253 0.69

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087093-B1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH BIOTHERAPEUTICS CORP (MC) 2021-11-10 EP claimed
US-20050281855-A1 Process for preparing a cross-linked carboxyl polysaccharide and the cross-linked carboxyl polysaccharide NATIONAL DEFENSE MEDICAL CENTER (TW) 2005-12-22 US claimed
US-20240279201-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE 2024-08-22 US disclosed
EP-4346811-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE University of Maryland, Baltimore (US) 2024-04-10 EP disclosed
WO-2022256419-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-08 WO disclosed
EP-3122344-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed
US-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2021-01-14 US disclosed
EP-3122345-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 US disclosed
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2019-09-12 US disclosed
WO-2012064911-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-18 WO disclosed
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
EP-2408304-A1 CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-25 EP disclosed
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-12 US disclosed
WO-2010107605-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-23 WO disclosed
WO-2006089311-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-08-24 WO disclosed
US-20050281855-A1 Process for preparing a cross-linked carboxyl polysaccharide and the cross-linked carboxyl polysaccharide NATIONAL DEFENSE MEDICAL CENTER (TW) 2005-12-22 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 (9 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-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 FDPS 1431/4885CYP1A2 2002/4885CYP3A4 3910/4885
US-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 FDPS 1431/4885CYP1A2 2002/4885CYP3A4 3910/4885
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 FDPS 1431/4885CYP1A2 2002/4885CYP3A4 3910/4885
US-20120010193-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL FDPS 2891/4885CYP1A2 1048/4885CYP3A4 2986/4885
US-20050281855-A1 Process for preparing a cross-linked carboxyl polysaccharide and the cross-linked carboxyl polysaccharide CSGALNACT1, GNE, ALG1 FDPS 3810/4885CYP1A2 4089/4885CYP3A4 2215/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF FDPS 1671/4885CYP1A2 2660/4885CYP3A4 4102/4885
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 FDPS 1431/4885CYP1A2 2002/4885CYP3A4 3910/4885
US-20240279201-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE PRKAB2, PRKAB1, PRKAG2 FDPS 3321/4885CYP1A2 1760/4885CYP3A4 3818/4885
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 FDPS 1431/4885CYP1A2 2002/4885CYP3A4 3910/4885

“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.