SCHEMBL1644595

SCHEMBL1644595

CCOC(=O)c1cnc2ccc(C(C)(C)C)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
GAA P10253 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL264108 0.90 MAOB (0.62) MAOBNPC1RAB9APDGFRBPDGFRA
SCHEMBL26680685 0.82 MAOB (0.56) MAOBNPC1RAB9APDGFRBPDGFRA
SCHEMBL29793278 0.82 MAOB (0.56) MAOBNPC1RAB9APDGFRBPDGFRA
SCHEMBL26681960 0.81 MAOB (0.61) MAOBNPC1RAB9APDGFRBPDGFRA
SCHEMBL2205670 0.81 ALDH1A1 (0.52) MAOBNPC1RAB9APDGFRBPDGFRA
SCHEMBL26798599 0.81 LMNA (0.54) MAOBNPC1RAB9APDGFRBPDGFRA
SCHEMBL846386 0.81 TSHR (0.61) MAOBNPC1RAB9APDGFRBPDGFRA
SCHEMBL4398696 0.81 MAOB (0.56) MAOBNPC1RAB9APDGFRBPDGFRA
SCHEMBL31419331 0.81 MAOB (0.55) MAOBNPC1RAB9APDGFRBPDGFRA
SCHEMBL1644022 0.80 MGAM (0.57) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 3327/4885NPC1 879/4885RAB9A 2452/4885

“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.