SCHEMBL3575601

SCHEMBL3575601

COC(=O)c1cnc2cc(N)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 13/20 0.54
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
PSMD14 O00487 1/20 0.48
MAOB P27338 1/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 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
Hydrochloric Acid SCHEMBL1353034 0.98 HPGDS (0.52) HPGDSMAPTTP53RAB9ASMN1; SMN2
SCHEMBL2599640 0.88 ALOX15 (0.52) HPGDSMAPTTP53RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1353017 0.87 ALOX15 (0.51) HPGDSMAPTTP53RAB9ASMN1; SMN2
SCHEMBL5647010 0.84 MAOB (0.61) HPGDSMAPTTP53RAB9ASMN1; SMN2
SCHEMBL17221411 0.83 MAOB (0.53) HPGDSMAPTRAB9ASMN1; SMN2ALOX15
SCHEMBL1043657 0.83 HPGDS (0.52) HPGDSALOX15HTTPSMD14MAOB
SCHEMBL26242992 0.83 HPGDS (0.50) HPGDSHTT
SCHEMBL2001821 0.82 HPGDS (0.51) HPGDSALOX15HTTPSMD14MAOB
SCHEMBL19021550 0.82 HPGDS (0.74) HPGDSMAOB
SCHEMBL6769263 0.81 MGAM (0.62) HPGDSMAPTRAB9AHTTPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 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 (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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 HPGDS 427/4885MAPT 3251/4885TP53 3973/4885

“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.