SCHEMBL1644022

SCHEMBL1644022

CC(C)(C)c1ccc2ncc(C(=O)O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.57
TRPV1 Q8NER1 1/20 0.46
SRD5A2 P31213 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
RXRA P19793 4/20 0.42
RXRB P28702 4/20 0.42
RXRG P48443 2/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
KIF11 P52732 1/20 0.40
PSMD14 O00487 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
NR4A2 P43354 1/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL263478 0.88 MGAM (0.57) MGAMTRPV1SRD5A2TDP1RXRA
SCHEMBL26351997 0.86 HPGDS (0.50) MGAMTRPV1PSMD14EPHX2NR1H4
SCHEMBL10474372 0.84 MGAM (0.57) MGAMSRD5A2RXRARXRBRXRG
SCHEMBL10465639 0.81 MGAM (0.70) MGAMTDP1PSMD14ALPL
SCHEMBL1644595 0.80 MAOB (0.54) TRPV1
SCHEMBL4548632 0.79 SCN10A (0.42) TRPV1TDP1
SCHEMBL7728789 0.79 MGAM (0.62) MGAMTDP1PSMD14
SCHEMBL13552144 0.77 ALPL (0.46) TRPV1EPHX2NR1H4ALPL
SCHEMBL61876 0.77 MGAM (0.64) MGAMTDP1PSMD14CA12CA1
SCHEMBL263623 0.76 PTPN1 (0.58) SRD5A2TDP1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 MGAM 4656/4885TRPV1 1/4885SRD5A2 3915/4885

“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.