SCHEMBL290746

SCHEMBL290746

CC(C)C(C)(C(=O)NCCN1CCCCC1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 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
SCHEMBL8135888 0.83 DRD4 (0.55) NPC1CA12CA1CA2CA9
SCHEMBL21244056 0.81 CA12 (0.50) NPC1CA12CA1CA2CA9
SCHEMBL12156373 0.81 DRD4 (0.56) NPC1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL22729331 0.80 KMT2A (0.49) NPC1CA12CA1CA2CA9
SCHEMBL9807625 0.79 NPC1 (0.54) NPC1CA12CA1CA2CA9
SCHEMBL21941875 0.78 DRD4 (0.56) NPC1CA12CA1CA2CA9
SCHEMBL21017768 0.77 DRD2 (0.59) NPC1CA12CA1CA2CA9
SCHEMBL5566464 0.76 CA12 (0.54) NPC1CA12CA1CA2CA9
SCHEMBL3594497 0.76 CA12 (0.54) NPC1CA12CA1CA2CA9
SCHEMBL485945 0.75 DRD2 (0.55) NPC1CA12CA1CA2CA9

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 NPC1 3345/4885CA12 913/4885CA1 384/4885

“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.