SCHEMBL14082500

SCHEMBL14082500

CC(C)(C)C1CCC(NC(=O)c2ccc(-c3cccnc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MKNK1 Q9BUB5 2/20 0.56
▸ MKNK2 Q9HBH9 2/20 0.56
▸ DRD2 P14416 5/20 0.54
▸ DRD3 P35462 5/20 0.54
▸ SMYD3 Q9H7B4 2/20 0.51
▸ HTR2A P28223 3/20 0.50
▸ WNT1 P04628 2/20 0.50
▸ DYRK1A Q13627 2/20 0.50
▸ MAPK13 O15264 1/20 0.49
▸ MAPK12 P53778 1/20 0.49
▸ MAPK11 Q15759 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL14082527 0.90 NPC1 (0.69) CYP46A1MEN1NPC1RAB9AKMT2A
SCHEMBL6055005 0.86 ALDH1A1 (0.64) CYP46A1RAB9ASMN1; SMN2DRD2DRD3
SCHEMBL14082526 0.85 SMN1; SMN2 (0.61) CYP46A1MEN1NPC1RAB9AKMT2A
SCHEMBL14082484 0.84 DYRK1A (0.60) CYP46A1MEN1NPC1RAB9AKMT2A
SCHEMBL14082548 0.82 DYRK1A (0.63) CYP46A1MEN1NPC1RAB9AKMT2A
SCHEMBL12384673 0.81 MAPT (0.57) CYP46A1MEN1NPC1RAB9AKMT2A
SCHEMBL14082175 0.79 TRPV1 (0.54) CYP46A1MEN1NPC1RAB9AKMT2A
SCHEMBL4590899 0.78 TRPV1 (0.56) CYP46A1MEN1NPC1RAB9AKMT2A
SCHEMBL4591089 0.78 TRPV1 (0.56) CYP46A1MEN1NPC1RAB9AKMT2A
SCHEMBL4590988 0.78 TRPV1 (0.56) CYP46A1MEN1NPC1RAB9AKMT2A

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 CYP46A1 3889/4885MEN1 4218/4885NPC1 1061/4885

“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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