SCHEMBL236995

SCHEMBL236995

C[C@@H]1CCCN1CCCOc1ccc(-c2ccc([S+]([O-])Cc3ccccc3)nn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.60
KCNH2 Q12809 2/20 0.55
CHRM2 P08172 1/20 0.55
SLC6A2 P23975 1/20 0.55
ADRA1A P35348 1/20 0.55
HTR3A P46098 1/20 0.55
SLC6A3 Q01959 1/20 0.55

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
SCHEMBL240602 0.86 HRH3 (0.70) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL240603 0.86 HRH3 (0.70) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL240839 0.84 HRH3 (0.56) HRH3KCNH2
SCHEMBL240053 0.82 HRH3 (0.63) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL240054 0.82 HRH3 (0.63) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL13746450 0.82 HRH3 (0.51) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL240331 0.81 HRH3 (0.61) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL240330 0.81 HRH3 (0.61) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL239641 0.81 HRH3 (0.61) HRH3KCNH2CHRM2SLC6A2ADRA1A
SCHEMBL239642 0.81 HRH3 (0.61) HRH3KCNH2CHRM2SLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912183-B2 Substituted pyridazine derivatives CEPHALON, INC. (US) 2014-12-16 US claimed
EP-2252593-B1 SUBSTITUTED PYRIDAZINE DERIVATIVES WHICH HAVE HISTAMINE H3 ANTAGONIST ACTIVITY CEPHALON INC (US) 2014-04-23 EP claimed
US-20120004231-A1 Substituted Pyridazine Derivatives CEPHALON, INC. (US) 2012-01-05 US claimed
US-8076331-B2 Substituted pyridazine derivatives CEPHALON, INC. (US) 2011-12-13 US claimed
US-20100311752-A1 Substituted pyridazine derivatives CEPHALON, INC. (US) 2010-12-09 US claimed
EP-2252593-A1 SUBSTITUTED PYRIDAZINE DERIVATIVES WHICH HAVE HISTAMINE H3 ANTAGONIST ACTIVITY Cephalon, Inc. (US) 2010-11-24 EP claimed
WO-2009097306-A1 SUBSTITUTED PYRIDAZINE DERIVATIVES WHICH HAVE HISTAMINE H3 ANTAGONIST ACTIVITY CEPHALON, INC. (US) 2009-08-06 WO claimed
US-8912183-B2 Substituted pyridazine derivatives CEPHALON, INC. (US) 2014-12-16 US disclosed
US-8912183-B2 Substituted pyridazine derivatives CEPHALON, INC. (US) 2014-12-16 US disclosed
US-8912183-B2 Substituted pyridazine derivatives CEPHALON, INC. (US) 2014-12-16 US disclosed
EP-2752406-A1 Substituted pyridazine derivatives which have histamine H3 antagonist activity CEPHALON, INC. (US) 2014-07-09 EP disclosed
EP-2252593-B1 SUBSTITUTED PYRIDAZINE DERIVATIVES WHICH HAVE HISTAMINE H3 ANTAGONIST ACTIVITY CEPHALON INC (US) 2014-04-23 EP disclosed
EP-2252593-B1 SUBSTITUTED PYRIDAZINE DERIVATIVES WHICH HAVE HISTAMINE H3 ANTAGONIST ACTIVITY CEPHALON INC (US) 2014-04-23 EP disclosed
US-8076331-B2 Substituted pyridazine derivatives CEPHALON, INC. (US) 2011-12-13 US disclosed
US-20100311752-A1 Substituted pyridazine derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
US-20100311752-A1 Substituted pyridazine derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
US-20100311752-A1 Substituted pyridazine derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
EP-2252593-A1 SUBSTITUTED PYRIDAZINE DERIVATIVES WHICH HAVE HISTAMINE H3 ANTAGONIST ACTIVITY Cephalon, Inc. (US) 2010-11-24 EP disclosed
WO-2009097306-A1 SUBSTITUTED PYRIDAZINE DERIVATIVES WHICH HAVE HISTAMINE H3 ANTAGONIST ACTIVITY CEPHALON, INC. (US) 2009-08-06 WO disclosed
WO-2009097306-A1 SUBSTITUTED PYRIDAZINE DERIVATIVES WHICH HAVE HISTAMINE H3 ANTAGONIST ACTIVITY CEPHALON, INC. (US) 2009-08-06 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 (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-20120004231-A1 Substituted Pyridazine Derivatives HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 390/4885CHRM2 90/4885
US-20100311752-A1 Substituted pyridazine derivatives HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 390/4885CHRM2 90/4885

“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.