SCHEMBL3839103

SCHEMBL3839103

COC(=O)CN1CCc2c(-c3ccccc3)cc3c(c2C1)NC(=O)C3=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BACE1 P56817 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
CARM1 Q86X55 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL3841321 0.89 HDAC1 (0.37) HDAC1HDAC6BACE1CD274CHRM2
SCHEMBL14287307 0.84 HTR6 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14287263 0.84 HTR6 (0.43) HDAC1HDAC6CD274ALDH1A1MAPK1
SCHEMBL14287266 0.83 HTR6 (0.41) CD274ALDH1A1TSHRTP53MAPK1
SCHEMBL14287272 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL29805708 0.79 MAOA (0.38) ALDH1A1MAPT
SCHEMBL4361494 0.79 MAOA (0.38) ALDH1A1MAPT
SCHEMBL3845357 0.79 ADORA2A (0.39)
SCHEMBL3843574 0.79 DRD2 (0.36) HDAC1HDAC6ALDH1A1TSHRTP53
SCHEMBL6607897 0.78 CYP2C9 (0.39) ALDH1A1GAAMAPTKDM4EMEN1

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
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
EP-1183025-A2 INHIBITORS OF PROTON-GATED CATION CHANNELS AND THEIR USE IN THE TREATMENT OF ISCHAEMIC DISORDERS NEUROSEARCH A/S (DK) 2002-03-06 EP disclosed
WO-2000071102-A2 INHIBITORS OF PROTON-GATED CATION CHANNELS AND THEIR USE IN THE TREATMENT OF ISCHAEMIC DISORDERS NEUROSEARCH A/S (DK) 2000-11-30 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 (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 HDAC1 855/4885HDAC6 335/4885BACE1 3809/4885
US-20080269230-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 HDAC1 855/4885HDAC6 335/4885BACE1 3809/4885
US-20020058663-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders ASIC1, ASIC3, TRPM4 HDAC1 824/4885HDAC6 264/4885BACE1 3819/4885
US-20040142936-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 HDAC1 855/4885HDAC6 335/4885BACE1 3809/4885

“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.