SCHEMBL4630703

SCHEMBL4630703

N#CC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.45
KDM4C Q9H3R0 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KCNA5 P22460 1/20 0.35
SCN5A Q14524 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHA2 P29317 1/20 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
SCHEMBL4631262 0.93 SLC6A3 (0.43) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL3466586 0.90 L3MBTL1 (0.38) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL7676368 0.87 MEN1 (0.38) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL5199433 0.84 KDM4C (0.38) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL7674634 0.84 L3MBTL1 (0.40) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL8316137 0.84 SLC6A3 (0.45) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL8350985 0.83 KDM4C (0.49) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL9053699 0.82 SLC6A3 (0.44) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL5858706 0.81 SLC6A3 (0.42) SLC6A3KDM4CSLC6A2SLC6A4MEN1
SCHEMBL6579345 0.81 SLC6A3 (0.45) SLC6A3KDM4CSLC6A2SLC6A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1923391-A1 Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. sanofi-aventis (FR) 2008-05-21 EP disclosed
EP-1688416-A1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them Sanofi-Aventis (FR) 2006-08-09 EP disclosed
US-7053213-B2 Therapeutic heterocycles ASTRAZENECA AB (SE) 2006-05-30 US disclosed
US-6989393-B2 Ccr5 modulators benzimidazoles or benzotriazoles ASTRAZENECA AB (SE) 2006-01-24 US disclosed
EP-1156049-B1 Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them SANOFI AVENTIS (FR) 2005-06-01 EP disclosed
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP disclosed
EP-1077942-B1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2005-01-12 EP disclosed
EP-0888338-B1 NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2004-11-17 EP disclosed
EP-0994876-B1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2004-09-08 EP disclosed
US-20030187255-A1 Therapeutic heterocycles MILLER SCOTT CARSON (US) 2003-10-02 US disclosed
US-5411971-A N-alkylenepiperidino compounds, their enantiomers and pharmaceutical compositions ELF SANOFI (FR) 1995-05-02 US disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 WO disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 WO disclosed
EP-0625509-A1 N-alkyl substituted piperidine-derivatives with neurokinin receptor antagonist activity ZENECA LIMITED (GB) 1994-11-23 EP disclosed
US-5350852-A Neurokinin A receptor antagonist SANOFI (FR) 1994-09-27 US disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 WO disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed
US-5236921-A Administrering for treatment of neutrogenic inflammation of the respiratory trart SANOFI (FR) 1993-08-17 US disclosed
EP-0515240-A1 N-alkylidene piperidine compounds and their enatiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-25 EP 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 (1 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-20030187255-A1 Therapeutic heterocycles BDKRB2, TK2, TACR2 SLC6A3 2785/4885KDM4C 3515/4885SLC6A2 1479/4885

“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.