SCHEMBL4583029

SCHEMBL4583029

O=C1Nc2c(cc(-c3ccccc3)c3c2CN(CC2CC2)CC3)/C1=N/O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
KDM2B Q8NHM5 4/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GRM2 Q14416 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CLPP Q16740 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KCNK3 O14649 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
SRC P12931 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32

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
SCHEMBL3839246 1.00 GABRA1 (0.35) GABRA1GABRA5GABRA3GABRA2KDM2B
SCHEMBL3028481 0.87 CHRM2 (0.37)
SCHEMBL3028483 0.87 CHRM2 (0.37)
SCHEMBL14287279 0.87 HTR6 (0.37)
SCHEMBL14311499 0.87 CHRM2 (0.37)
SCHEMBL3845357 0.87 ADORA2A (0.39) GABRA1GABRA5GABRA3GABRA2KDM2B
SCHEMBL3841662 0.86 SLC6A5 (0.42) GABRA1GABRA2ADORA1
SCHEMBL3838812 0.86 SLC6A5 (0.42) GABRA1GABRA2ADORA1
SCHEMBL14287268 0.85 DRD2 (0.36) KDM2B
SCHEMBL3843729 0.84 DRD2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269230-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders PAINCEPTOR PHARMA CORPORATION (CA) 2008-10-30 US disclosed
US-7288653-B2 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders PAINCEPTOR PHARMA CORPORATION (CA) 2007-10-30 US disclosed
US-20060079529-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders PAINCEPTOR PHARMA CORPORATION (CA) 2006-04-13 US disclosed
US-20040142936-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders NEUROSEARCH A/S 2004-07-22 US disclosed
US-6727260-B2 USING COMPOUNDS CAPABLE OF INHIBITING THE ACTIVITY OF A PROTON-GATED CATION CHANNEL IN THERAPY OR ALEVIATION OF DISEASES OR DISORDERS ASSOCIATED WITH, OR MEDIATED BY A DROP IN EXTRACELLULAR PH NEUROSEARCH A/S (DK) 2004-04-27 US disclosed
US-20020058663-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders AROS PHARMA APS (DK) 2002-05-16 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 (4 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-20060079529-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 GABRA1 851/4885GABRA5 765/4885GABRA3 779/4885
US-20080269230-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 GABRA1 851/4885GABRA5 765/4885GABRA3 779/4885
US-20020058663-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders ASIC1, ASIC3, TRPM4 GABRA1 790/4885GABRA5 778/4885GABRA3 714/4885
US-20040142936-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 GABRA1 851/4885GABRA5 765/4885GABRA3 779/4885

“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.