SCHEMBL6174872

SCHEMBL6174872

c1ccc(CNCCOc2cccc3c2OCCO3)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.65
MTNR1A P48039 4/20 0.58
DRD4 P21917 8/20 0.55
DRD2 P14416 7/20 0.55
DRD3 P35462 7/20 0.55
SLC6A4 P31645 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR6 P50406 3/20 0.48

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
SCHEMBL15265729 0.82 HTR1A (0.55) HTR1AMTNR1ADRD4DRD2DRD3
SCHEMBL8113788 0.82 HTR1A (0.57) HTR1AMTNR1ASLC6A4KDM4E
SCHEMBL15264912 0.82 HTR1A (0.60) HTR1AMTNR1ADRD2SLC6A4KDM4E
Hydrochloric Acid SCHEMBL9281629 0.81 HTR1A (0.56) HTR1AMTNR1ASLC6A4KDM4E
SCHEMBL6174714 0.81 MTNR1A (0.71) HTR1AMTNR1ADRD2SLC6A4
SCHEMBL15266096 0.80 HTR1A (0.56) HTR1AMTNR1ADRD4DRD2DRD3
SCHEMBL15266097 0.80 HTR1A (0.52) HTR1AMTNR1ADRD4DRD2DRD3
SCHEMBL7518458 0.79 MTNR1A (0.69) HTR1AMTNR1ADRD2SLC6A4KDM4E
SCHEMBL5926589 0.79 MTNR1A (0.69) HTR1AMTNR1ADRD2SLC6A4
SCHEMBL11701339 0.78 DRD4 (0.77) HTR1ADRD4DRD2DRD3KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930110-B2 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same EGIS GYOGYSZERGYAR RT. (HU) 2005-08-16 US disclosed
EP-1430047-B1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2005-02-09 EP disclosed
US-20040242873-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same EGIS GYOGYSZERGYAR RT. (HU) 2004-12-02 US disclosed
EP-1430047-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Egis Gyogyszergyar Rt. (HU) 2004-06-23 EP disclosed
WO-2003027097-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGIS Gyógyszergyár Rt. (HU) 2003-04-03 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-20040242873-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same CYP3A5, CYP11B1, ADRA1D HTR1A 39/4885MTNR1A 603/4885DRD4 41/4885

“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.