SCHEMBL1644640

SCHEMBL1644640

CCOC(=O)c1cnc2cc(C(C)(C)C)ccc2c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PDE6D O43924 1/20 0.46
PDE5A O76074 1/20 0.46
PDE6A P16499 1/20 0.46
PDE6G P18545 1/20 0.46
PDE6B P35913 1/20 0.46
PDE6C P51160 1/20 0.46
PDE6H Q13956 1/20 0.46
MAPK1 P28482 3/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL10341229 0.89 THRB (0.49) THRBMAPTMEN1KMT2AGAA
SCHEMBL14378112 0.89 THRB (0.62) THRBMAPTMEN1KMT2ANPC1
SCHEMBL263314 0.88 KMT2A (0.53) THRBMAPTMEN1KMT2AGAA
SCHEMBL14378308 0.87 KIF11 (0.42) THRBMAPTCYP2C9CYP2C19RAB9A
SCHEMBL1644662 0.82 TDP1 (0.42) THRBCYP2C9GABRPGABRDGABRA1
SCHEMBL1983100 0.81 MAPK1 (0.48) MAPTMEN1KMT2AGAANPC1
SCHEMBL1285507 0.80 MAPT (0.51) MAPTMEN1KMT2AGAANPC1
SCHEMBL15445432 0.78 KMT2A (0.64) MAPTMEN1KMT2AGAANPC1
SCHEMBL4743428 0.78 KMT2A (0.53) THRBMAPTMEN1KMT2AGAA
SCHEMBL430575 0.78 THRB (0.61) THRBMAPTMEN1KMT2ANPC1

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 THRB 1401/4885MAPT 3251/4885MEN1 4500/4885

“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.