SCHEMBL14083629

SCHEMBL14083629

O=C(Nc1ccc2ccccc2c1)c1ccc(-c2ncccc2Cl)cc1F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ TRPV1 Q8NER1 4/20 0.55
▸ MAPT P10636 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ GRM4 Q14833 2/20 0.48
▸ HTT P42858 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NR2E3 Q9Y5X4 1/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45

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
SCHEMBL14083627 0.91 NPC1 (0.60) NPC1RAB9ATRPV1MAPTMEN1
SCHEMBL14083572 0.88 TRPV1 (0.60) TRPV1GRM4CYP11B2
SCHEMBL14082764 0.87 TRPV1 (0.62) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL14083604 0.85 TRPV1 (0.58) NPC1RAB9ATRPV1MAPTGRM4
SCHEMBL14083611 0.85 TRPV1 (0.51) NPC1RAB9ATRPV1MAPTNR2E3
SCHEMBL14083624 0.85 TRPV1 (0.54) TRPV1GRM4CYP11B2
SCHEMBL14083586 0.85 CYP11B2 (0.55) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL14083575 0.84 TRPV1 (0.62) TRPV1HTTCYP11B2
SCHEMBL14083573 0.84 TRPV1 (0.57) NPC1RAB9ATRPV1MAPTMEN1
SCHEMBL14083622 0.84 TRPV1 (0.56) TRPV1CYP11B2

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 NPC1 1061/4885RAB9A 1914/4885TRPV1 1/4885

“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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