SCHEMBL4872153

SCHEMBL4872153

CNCC(CCO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.52
SLC6A4 P31645 19/20 0.52
SLC6A3 Q01959 19/20 0.52
CYP3A4 P08684 18/20 0.52
CYP2D6 P10635 18/20 0.52
KCNH2 Q12809 13/20 0.52

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
SCHEMBL758733 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8369503 0.98 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL7313213 0.91 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7745890 0.89 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL6770906 0.85 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL6604805 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL6604797 0.84 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL7666332 0.81 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL6770177 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL5866353 0.80 MCHR1 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368461-B2 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2008-05-06 US disclosed
EP-1444220-B1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-02-14 EP disclosed
US-7053213-B2 Therapeutic heterocycles ASTRAZENECA AB (SE) 2006-05-30 US disclosed
US-6963011-B2 N-(2-phenyl-3-aminopropyl)naphthamides ASTRAZENECA AB (SE) 2005-11-08 US disclosed
EP-1278719-B1 NAPHTHAMIDE NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2005-11-02 EP disclosed
US-20050203113-A1 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2005-09-15 US disclosed
US-6903092-B2 Naphthamide neurokinin antagonists for use as medicaments ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1307425-B1 NOVEL N-(2-PHENYL-3-AMINOPROPYL)NAPHTAMIDES ASTRAZENECA AB (SE) 2005-04-20 EP disclosed
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
US-20040248914-A1 Method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2004-12-09 US disclosed
EP-0700387-A1 SALTS OF SUBSTITUTED HETEROAROMATIC NITROGEN COMPOUNDS, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING SAME SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026339-A1 SALTS OF SUBSTITUTED HETEROAROMATIC NITROGEN COMPOUNDS, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING SAME SANOFI (FR) 1995-10-05 WO disclosed
EP-0667858-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-08-23 EP disclosed
WO-1995015961-A1 BICYCLIC HETEROCYCLES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-15 WO disclosed
WO-1995012577-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1995-05-11 WO disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 WO disclosed
EP-0625509-A1 N-alkyl substituted piperidine-derivatives with neurokinin receptor antagonist activity ZENECA LIMITED (GB) 1994-11-23 EP disclosed
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 WO disclosed
WO-1993018002-A1 QUATERNARY SALTS OF 4-SUBSTITUTED PIPERIDINES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-09-16 WO disclosed
EP-0559538-A1 Quaternary salts of 4-substituted piperidines, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-09-08 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 (2 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-20040248914-A1 Method for the treatment of overactive bladder TACR1, TACR2, OGFR SLC6A2 329/4885SLC6A4 527/4885SLC6A3 304/4885
US-20050203113-A1 Compounds and method for the treatment of overactive bladder TACR1, TACR2, BDKRB1 SLC6A2 275/4885SLC6A4 617/4885SLC6A3 151/4885

“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.