SCHEMBL7908815

SCHEMBL7908815

c1ccc2c(c1)CCn1ncnc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.42
GABRB3 P28472 5/20 0.42
GABRA5 P31644 5/20 0.42
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 2/20 0.37
SETD7 Q8WTS6 1/20 0.36
DYRK1A Q13627 1/20 0.36
CES1 P23141 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL7136243 0.87 CES1 (0.47) GABRG2GABRB3GABRA5KDM4EMAPT
SCHEMBL11277543 0.81 GABRG2 (0.51) GABRG2GABRB3GABRA5KDM4ESMN1; SMN2
SCHEMBL7136207 0.81 SETD7 (0.59) MAPTHSD17B10SETD7ALDH1A1LMNA
SCHEMBL14997105 0.75 GABRG2 (0.34) GABRG2GABRB3GABRA5HSD17B10HPGD
SCHEMBL7136916 0.74 SETD7 (0.38) SETD7LMNACHRM2HTR1ACHRM1
SCHEMBL30561615 0.71 KDM4E (0.44) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL11420919 0.70 RAB9A (0.44) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL7136275 0.69 GABRG2 (0.41) GABRG2GABRB3GABRA5HTR2AHTR2C
SCHEMBL11408043 0.69 MAPT (0.40) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL11407903 0.69 MAPT (0.43) KDM4ESMN1; SMN2NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
US-RE30456-E ANTIFERTILITY AGENTS, ANTIINFLAMATORY AGENTS AND CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-12-23 US disclosed
US-4075341-A 2-Substituted phenyl-5-triazols [5,1-a] isoquinoline compounds GRUPPO LEPETIT S.P.A. (IT) 1978-02-21 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 (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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 GABRG2 1911/4885GABRB3 1316/4885GABRA5 2083/4885

“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.