SCHEMBL14083014

SCHEMBL14083014

CCc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)CC)cc3)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.55
▸ NPC1 O15118 8/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ TP53 P04637 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ PTPN1 P18031 3/20 0.53
▸ PTPN6 P29350 1/20 0.53
▸ PTPN11 Q06124 1/20 0.53
▸ PTPN2 P17706 1/20 0.51
▸ GRIA4 P48058 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ DGAT1 O75907 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.44

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
SCHEMBL14083028 0.85 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL14083026 0.84 NPC1 (0.60) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL14083001 0.82 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL14083013 0.82 P4HTM (0.64) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL14083004 0.80 MAPT (0.63) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL14082988 0.80 KCNQ3 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1PTPN1
SCHEMBL14253047 0.79 NPC1 (0.54) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL14083006 0.79 TRPV1 (0.57) RAB9ANPC1SMN1; SMN2TP53PTPN1
SCHEMBL14083009 0.79 PTPN1 (0.57) RAB9ANPC1SMN1; SMN2TP53PTPN1
SCHEMBL14083019 0.78 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 RAB9A 1914/4885NPC1 1061/4885SMN1; SMN2 2099/4885

“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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