SCHEMBL5008089

SCHEMBL5008089

CCCC(C)(NC(=O)c1ccc(C#N)cc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX2 P34913 1/20 0.47
PRSS1 P07477 4/20 0.42
CTSG P08311 4/20 0.42
CTRB1 P17538 4/20 0.42
CMA1 P23946 4/20 0.42
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PKM P14618 1/20 0.40
MLYCD O95822 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
RAB9A P51151 1/20 0.39
MAP4K4 O95819 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
TNIK Q9UKE5 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
SCHEMBL5008094 0.81 POLB (0.51) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL1877455 0.77 EPHX2 (0.48) MEN1KMT2AEPHX2PRSS1CTSG
SCHEMBL507273 0.76 EPHX2 (0.55) MEN1KMT2AEPHX2PRSS1CTSG
SCHEMBL7837208 0.74 CTSG (0.47) MEN1KMT2AEPHX2PRSS1CTSG
SCHEMBL7835765 0.73 MEN1 (0.49) MEN1KMT2AEPHX2PRSS1CTSG
SCHEMBL7837709 0.73 EPHX2 (0.47) MEN1KMT2AEPHX2PRSS1CTSG
SCHEMBL1877453 0.73 POLB (0.64) MEN1KMT2AEPHX2PRSS1CTSG
SCHEMBL7835600 0.72 CTSG (0.46) MEN1KMT2AEPHX2PRSS1CTSG
SCHEMBL7837405 0.71 MEN1 (0.47) MEN1KMT2AEPHX2PRSS1CTSG
SCHEMBL7826783 0.71 CTSG (0.47) MEN1KMT2AEPHX2PRSS1CTSG

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-20080319055-A1 Cooling Compounds GIVAUDAN SA (CH) 2008-12-25 US disclosed
EP-1860960-A1 COOLING COMPOUNDS Givaudan SA (CH) 2007-12-05 EP disclosed
WO-2006099762-A1 COOLING COMPOUNDS GIVAUDAN SA (CH) 2006-09-28 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-20080319055-A1 Cooling Compounds TAS2R1, TAS2R43, TAS2R3 MEN1 1388/4885KMT2A 2207/4885EPHX2 575/4885

“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.