SCHEMBL5926075

SCHEMBL5926075

COc1cccc(N2CCN(CCNc3cn[nH]c(=O)c3)CC2)c1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.47
▸ ADRA1A P35348 6/20 0.47
▸ ADRA1D P25100 3/20 0.47
▸ ADRA1B P35368 3/20 0.47
▸ DRD2 P14416 5/20 0.43
▸ DRD4 P21917 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HRH1 P35367 1/20 0.42

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 SCHEMBL5926077 0.99 HTR1A (0.47) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL5926074 0.85 HTR1A (0.41) HTR1AADRA1AADRA1DADRA1BDRD2
Hydrochloric Acid SCHEMBL5926076 0.84 HTR1A (0.41) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL5926115 0.83 HTR1A (0.47) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL27263980 0.79 DRD2 (0.54) HTR1AADRA1AADRA1BDRD2DRD4
SCHEMBL5926325 0.78 DRD2 (0.48) HTR1AADRA1AADRA1DADRA1BDRD2
SCHEMBL5926141 0.75 KCNH2 (0.53) HTR1AADRA1ADRD2MAPTADRA2A
SCHEMBL5926097 0.74 HTR7 (0.56) HTR1ADRD2MAPTHRH1
SCHEMBL5926079 0.74 HTR1A (0.54) HTR1AADRA1ADRD4HTR2B
SCHEMBL5926252 0.73 HTR2A (0.53) HTR1ADRD2DRD4MAPTLMNA

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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