SCHEMBL3843574

SCHEMBL3843574

C#CCN1CCc2c(-c3ccccc3)cc3c(c2C1)NC(=O)C3=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CARM1 Q86X55 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3843727 0.87 DRD2 (0.34) DRD2SIGMAR1L3MBTL1CARM1
SCHEMBL3843729 0.87 DRD2 (0.34) DRD2SIGMAR1L3MBTL1CARM1
SCHEMBL14287307 0.85 HTR6 (0.39)
SCHEMBL14287266 0.84 HTR6 (0.41) MAOAMAOBALDH1A1TP53TSHR
SCHEMBL3842915 0.84 SLC6A5 (0.46) DRD2PARP1TNKS2PARP2DRD4
SCHEMBL14287272 0.83 ALDH1A1 (0.39) DRD2SIGMAR1L3MBTL1ALDH1A1DRD4
SCHEMBL3845357 0.83 ADORA2A (0.39) DRD2SIGMAR1
SCHEMBL14287263 0.81 HTR6 (0.43) DRD2SIGMAR1ALDH1A1MAPK1DRD4
SCHEMBL14287278 0.80 USP30 (0.38) MAOAMAOB
SCHEMBL6607897 0.79 CYP2C9 (0.39) MAOAMAOBALDH1A1PARP1TNKS2

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
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-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 DRD2 2068/4885SIGMAR1 1761/4885L3MBTL1 2069/4885
US-20080269230-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 DRD2 2068/4885SIGMAR1 1761/4885L3MBTL1 2069/4885
US-20020058663-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders ASIC1, ASIC3, TRPM4 DRD2 1964/4885SIGMAR1 2642/4885L3MBTL1 2985/4885
US-20040142936-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 DRD2 2068/4885SIGMAR1 1761/4885L3MBTL1 2069/4885

“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.