SCHEMBL292178

SCHEMBL292178

CC(C)C(C)(C(=O)NCc1cccn1C)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 4/20 0.49
HSD11B1 P28845 2/20 0.48
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 2/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
CNR2 P34972 1/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
CYP2D6 P10635 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
SCHEMBL18415482 0.77 RAB9A (0.64) RAB9ASMN1; SMN2ALDH1A1NPC1HSD11B1
SCHEMBL10061706 0.76 RAB9A (0.62) RAB9ASMN1; SMN2ALDH1A1NPC1HSD11B1
SCHEMBL2755870 0.76 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2ALDH1A1NPC1HSD11B1
SCHEMBL18415494 0.72 RAB9A (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1HSD11B1
SCHEMBL17789281 0.70 KMT2A (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1HSD11B1
SCHEMBL14454192 0.69 MEN1 (0.65) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL14350120 0.69 MEN1 (0.47) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL16388796 0.67 KMT2A (0.50) RAB9ASMN1; SMN2ALDH1A1NPC1HSD11B1
SCHEMBL25587466 0.67 MAPT (0.42) RAB9ASMN1; SMN2ALDH1A1NPC1HSD11B1
SCHEMBL14664143 0.66 MAPT (0.50) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095042-A1 Organic Compounds Having Cooling Properties GIVAUDAN SA (CH) 2012-04-19 US claimed
EP-2427170-A2 ORGANIC COMPOUNDS HAVING COOLING PROPERTIES Givaudan SA (CH) 2012-03-14 EP claimed
WO-2010128026-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 WO claimed
US-8664261-B2 Organic compounds having cooling properties GIVAUDAN S.A. (CH) 2014-03-04 US disclosed
US-8664261-B2 Organic compounds having cooling properties GIVAUDAN S.A. (CH) 2014-03-04 US disclosed
US-20120095042-A1 Organic Compounds Having Cooling Properties GIVAUDAN SA (CH) 2012-04-19 US disclosed
US-20120095042-A1 Organic Compounds Having Cooling Properties GIVAUDAN SA (CH) 2012-04-19 US disclosed
EP-2427170-A2 ORGANIC COMPOUNDS HAVING COOLING PROPERTIES Givaudan SA (CH) 2012-03-14 EP disclosed
WO-2010128026-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 WO disclosed
WO-2010128026-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 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-20120095042-A1 Organic Compounds Having Cooling Properties ME3, ME2, MSMO1 RAB9A 3627/4885SMN1; SMN2 3743/4885ALDH1A1 748/4885

“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.