SCHEMBL14082233

SCHEMBL14082233

O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ RXFP1 Q9HBX9 1/20 0.70
▸ GRM4 Q14833 2/20 0.59
▸ KMT2A Q03164 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SERPINE1 P05121 1/20 0.53
▸ TRPV1 Q8NER1 2/20 0.53
▸ ADORA3 P0DMS8 2/20 0.52
▸ S1PR1 P21453 1/20 0.52
▸ S1PR3 Q99500 1/20 0.52

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
SCHEMBL14082220 0.87 NPC1 (0.61) GRM4KMT2AMEN1NPC1RAB9A
SCHEMBL14082429 0.83 RXFP1 (0.60) KDM4ENPSR1RXFP1GRM4KMT2A
SCHEMBL14083481 0.82 RXFP1 (0.66) KDM4ENPSR1RXFP1GRM4KMT2A
SCHEMBL8804658 0.82 KDM4E (0.82) KDM4ENPSR1RXFP1GRM4KMT2A
SCHEMBL14082273 0.82 RAB9A (0.72) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL14313610 0.82 TRPV1 (0.72) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL24298091 0.81 GRM4 (0.67) KDM4ENPSR1RXFP1GRM4KMT2A
SCHEMBL29496337 0.81 GRM4 (0.67) KDM4ENPSR1RXFP1GRM4KMT2A
SCHEMBL14082248 0.81 RAB9A (0.69) KMT2AMEN1NPC1RAB9ATRPV1
SCHEMBL14082212 0.81 NPC1 (0.68) GRM4NPC1RAB9ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — 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 (1 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 KDM4E 4231/4885NPSR1 406/4885RXFP1 1053/4885

“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.

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