SCHEMBL10259756

SCHEMBL10259756

CCCn1nc(-c2ccc(OCCCN3[C@H](C)CC[C@H]3C)cc2)c2c(c1=O)CCS2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.51
HRH2 P25021 3/20 0.45
HRH1 P35367 3/20 0.45
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL10261001 0.89 HRH3 (0.67) HRH3CHRM2SLC6A2SLC6A3
SCHEMBL10258423 0.88 HRH3 (0.66) HRH3HRH2HRH1
SCHEMBL10267637 0.86 HRH3 (0.52) HRH3HRH2HRH1
SCHEMBL10259496 0.86 HRH3 (0.52) HRH3HRH2HRH1
SCHEMBL10260714 0.84 HRH3 (0.55) HRH3HRH2HRH1
SCHEMBL13141136 0.82 HRH3 (0.53) HRH3HRH2HRH1HRH4
SCHEMBL1372912 0.80 HRH3 (0.78) HRH3HRH2HRH1
SCHEMBL13572238 0.80 HRH3 (0.78) HRH3HRH2HRH1
SCHEMBL10258257 0.77 HRH3 (0.71) HRH3CHRM2SLC6A2SLC6A3
SCHEMBL10260710 0.72 HRH3 (0.65) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207168-B2 Pyridazinone derivatives CEPHALON, INC. (US) 2012-06-26 US disclosed
US-20100280007-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-11-04 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US 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-20100280007-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HRH3 1/4885HRH2 7/4885HRH1 5/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 HRH3 1/4885HRH2 7/4885HRH1 5/4885

“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.