SCHEMBL4582236

SCHEMBL4582236

CON=C1C(=O)Nc2c1cc(-c1ccccc1)c1c2CN(C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C9 P11712 1/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
TP53 P04637 1/20 0.32
BRD4 O60885 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 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
Hydrochloric Acid SCHEMBL7427191 0.99 CDYL (0.35) CDYLSMN1; SMN2CYP2C9MAPTKDM4E
SCHEMBL14287160 0.88 CYP2C9 (0.36) CDYLCYP2C9MAPTKDM4EMEN1
SCHEMBL4363227 0.88 MAPT (0.34) CDYLSMN1; SMN2CYP2C9MAPTKDM4E
SCHEMBL4373620 0.87 GRIA1 (0.37) CDYLSMN1; SMN2CYP2C9MAPTKDM4E
SCHEMBL4373619 0.87 GRIA1 (0.37) CDYLSMN1; SMN2CYP2C9MAPTKDM4E
SCHEMBL14287080 0.87 CDYL (0.41) CDYLMAPTKDM4EMEN1KMT2A
SCHEMBL6607248 0.86 MAPK8 (0.33) SMN1; SMN2CYP2C9MAPTKDM4EMEN1
SCHEMBL6607521 0.85 MAPT (0.33) CDYLSMN1; SMN2CYP2C9MAPTKDM4E
SCHEMBL8133111 0.85 HTR6 (0.42) SMN1; SMN2CYP2C9MAPTMEN1KMT2A
SCHEMBL14287167 0.85 CYP2C9 (0.34) CDYLCYP2C9MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
US-5780493-A TREATING BRAIN DISORDERS NEUROSEARCH A/S (DK) 1998-07-14 US claimed
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 CDYL 2909/4885SMN1; SMN2 1438/4885CYP2C9 3814/4885
US-20080269230-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 CDYL 2909/4885SMN1; SMN2 1438/4885CYP2C9 3814/4885
US-20020058663-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders ASIC1, ASIC3, TRPM4 CDYL 4080/4885SMN1; SMN2 1823/4885CYP2C9 3054/4885
US-20040142936-A1 Inhibitors of proton-gated cation channels and their use in the treatment of ischaemic disorders TRPV1, HVCN1, TRPM2 CDYL 2909/4885SMN1; SMN2 1438/4885CYP2C9 3814/4885

“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.