SCHEMBL4937644

SCHEMBL4937644

Nc1ccc(F)c(CCc2cccc(-c3ccccc3)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.45
AGXT P21549 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
MPO P05164 1/20 0.40
HTR7 P34969 1/20 0.39
NOS1 P29475 3/20 0.39
NOS3 P29474 2/20 0.39
DHFR P00374 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
NR1I2 O75469 1/20 0.37
CASR P41180 1/20 0.37
ASIC3 Q9UHC3 1/20 0.37

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
SCHEMBL4940746 0.84 BACE1 (0.66) BACE1MAOBNOS1DHFRTAAR1
SCHEMBL14034609 0.81 TAAR1 (0.51) MPONOS1NOS3TAAR1
SCHEMBL172787 0.70 TAAR1 (0.62) BACE1AGXTMAOBHTR7TAAR1
Hydrochloric Acid SCHEMBL27718613 0.69 HTR7 (0.61) BACE1AGXTMAOBHTR7TAAR1
SCHEMBL609715 0.68 MAOA (0.53) BACE1AGXTMAOAMAOBHTR7
SCHEMBL4035870 0.68 MAOA (0.57) AGXTMAOAMAOBHTR7TAAR1
SCHEMBL29706557 0.68 MAOA (0.57) AGXTMAOAMAOBHTR7TAAR1
SCHEMBL5483210 0.67 AGXT (0.52) BACE1AGXTMAOAMAOBHTR7
SCHEMBL4935355 0.67 BACE1 (0.55) BACE1AGXTMAOAMAOBHTR7
SCHEMBL3229152 0.66 MAOA (0.55) AGXTMAOAMAOBHTR7TAAR1

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-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US claimed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 BACE1 30/4885AGXT 1125/4885MAOA 355/4885

“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.