SCHEMBL758733

SCHEMBL758733

CNC[C@@H](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
SCHEMBL4872153 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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954678-B1 NOVEL NK1 AND NK2 ANTAGONISTS ABBOTT PRODUCTS GMBH (DE) 2012-03-21 EP disclosed
US-7592344-B2 NK1 and NK2-antagonists and compositions and methods of using the same SOLVAY PHARMACEUTICALS GMBH (DE) 2009-09-22 US disclosed
EP-1954678-A1 NOVEL NK1 AND NK2 ANTAGONISTS Solvay Pharmaceuticals GmbH (DE) 2008-08-13 EP disclosed
US-20070149537-A1 NK1 and NK2-antagonists and compositions and methods of using the same SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-28 US disclosed
WO-2007063086-A1 NOVEL NK1 AND NK2 ANTAGONISTS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-07 WO 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-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-5559131-A ANTAGONISTS OF TACHYKININS AT THE NEUROKININ 2 RECEPTOR, ANTIASTHMA ZENECA LIMITED (GB) 1996-09-24 US disclosed
EP-0726893-A1 NOVEL 4-PIPERIDINYL SUBSTITUTED LACTAMES AS NEUROKININ 2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-08-21 EP disclosed
US-5534525-A Lactam derivatives ZENECA LIMITED (GB) 1996-07-09 US disclosed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP disclosed
US-5521199-A TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1996-05-28 US 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
WO-1994010146-A1 4-CARBOXOAMIDO PIPERIDINE DERIVATIVES, INTERMEDIATES AND USE AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1994-05-11 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 (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-20070149537-A1 NK1 and NK2-antagonists and compositions and methods of using the same HRH2, PROKR2, BDKRB2 SLC6A2 1388/4885SLC6A4 2566/4885SLC6A3 2380/4885

“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.