SCHEMBL5926074

SCHEMBL5926074

COc1c(N2CCN(CCNc3cn[nH]c(=O)c3)CC2)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.41
▸ ADRA1A P35348 4/20 0.41
▸ ADRA1D P25100 3/20 0.41
▸ ADRA1B P35368 3/20 0.41
▸ DRD3 P35462 5/20 0.38
▸ FAAH O00519 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ TIPARP Q7Z3E1 1/20 0.36

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
Hydrochloric Acid SCHEMBL5926076 0.99 HTR1A (0.41) HTR1AADRA1AADRA1DADRA1BDRD3
SCHEMBL5926075 0.85 HTR1A (0.47) HTR1AADRA1AADRA1DADRA1BDRD3
Hydrochloric Acid SCHEMBL5926077 0.84 HTR1A (0.47) HTR1AADRA1AADRA1DADRA1BDRD3
SCHEMBL27263980 0.79 DRD2 (0.54) HTR1AADRA1AADRA1BDRD3HTR2A
SCHEMBL5926325 0.78 DRD2 (0.48) HTR1AADRA1AADRA1DADRA1BDRD3
SCHEMBL5926097 0.74 HTR7 (0.56) HTR1AMAPTHTR2ADRD2
SCHEMBL5926079 0.74 HTR1A (0.54) HTR1AADRA1A
SCHEMBL5926141 0.73 KCNH2 (0.53) HTR1AADRA1ADRD3MAPTHTR2A
SCHEMBL5926085 0.72 PIM1 (0.47) HTR1ADRD3HTR2ADRD2HTR2C
SCHEMBL5926252 0.71 HTR2A (0.53) HTR1AALDH1A1LMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043314-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same EGIS GYOGYSZERGYAR RT. (HU) 2005-02-24 — — US claimed
EP-1430034-B1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2005-02-09 — — EP claimed
EP-1430034-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Egis Gyogyszergyar Rt. (HU) 2004-06-23 — — EP claimed
WO-2003027078-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGIS Gyógyszergyár Rt. (HU) 2003-04-03 — — WO claimed
US-20060211703-A1 Substituted alkyl-pyridazinones for the treatment of memory and learning malfunctions EGIS GYOGYSZERGYAR RT. (HU) 2006-09-21 — — US disclosed
US-20050043314-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same EGIS GYOGYSZERGYAR RT. (HU) 2005-02-24 — — US disclosed
EP-1430034-B1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2005-02-09 — — EP disclosed
EP-1430034-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-2003027078-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 (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-20050043314-A1 Substituted alkylaminopyridazinone derivatives, process for the preparation thereof and pharmaceutical composition containing the same CYP2C19, CYP2D6, CYP3A5 HTR1A 64/4885ADRA1A 19/4885ADRA1D 5/4885
US-20060211703-A1 Substituted alkyl-pyridazinones for the treatment of memory and learning malfunctions CHRM1, CHRM2, CHRM5 HTR1A 225/4885ADRA1A 217/4885ADRA1D 274/4885

“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.

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