SCHEMBL3842915

SCHEMBL3842915

O=C1Nc2c(cc(-c3ccccc3)c3c2CN(Cc2ccccc2)CC3)C1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.46
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRA2 P47869 1/20 0.42
CLPP Q16740 2/20 0.42
ACHE P22303 4/20 0.42
ABCB1 P08183 1/20 0.40

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
SCHEMBL14287307 0.87 HTR6 (0.39)
SCHEMBL14287266 0.86 HTR6 (0.41)
SCHEMBL3838812 0.86 SLC6A5 (0.42) SLC6A5DRD4DRD2DRD3PARP1
SCHEMBL3841662 0.86 SLC6A5 (0.42) SLC6A5DRD4DRD2DRD3PARP1
SCHEMBL14287272 0.85 ALDH1A1 (0.39) DRD4DRD2DRD3
SCHEMBL3845357 0.84 ADORA2A (0.39) DRD2GABRA1GABRA2CLPP
SCHEMBL3843574 0.84 DRD2 (0.36) SLC6A5DRD4DRD2DRD3PARP1
SCHEMBL14287263 0.83 HTR6 (0.43) DRD4DRD2DRD3ABCB1
SCHEMBL6607897 0.81 CYP2C9 (0.39) PARP1TNKS2
SCHEMBL3839103 0.81 HDAC1 (0.39)

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
EP-1183025-B1 INHIBITORS OF PROTON-GATED CATION CHANNELS AND THEIR USE IN THE TREATMENT OF ISCHAEMIC DISORDERS PAINCEPTOR PHARMA CORP (CA) 2009-01-14 EP disclosed
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-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 (3 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 SLC6A5 607/4885DRD4 3176/4885DRD2 2068/4885
US-20080269230-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 SLC6A5 607/4885DRD4 3176/4885DRD2 2068/4885
US-20020058663-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders ASIC1, ASIC3, TRPM4 SLC6A5 726/4885DRD4 3121/4885DRD2 1964/4885

“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.