SCHEMBL43690

SCHEMBL43690

CCC1(CC)CCC(OC(=O)N2CC(C(=O)NCc3ccc(OCc4ccccc4)c(OC)c3)C2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 4/20 0.64
PKM P14618 1/20 0.64
APP P05067 5/20 0.56
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL42763 0.86 TRPV1 (0.47) NPC1RAB9APKMACHEBACE1
SCHEMBL43056 0.85 NPC1 (0.61) NPC1RAB9APKMAPPACHE
SCHEMBL43663 0.81 NPC1 (0.68) NPC1RAB9APKMAPPACHE
SCHEMBL43662 0.81 NPC1 (0.68) NPC1RAB9APKMAPPACHE
SCHEMBL42425 0.81 NPC1 (0.73) NPC1RAB9APKMAPPACHE
SCHEMBL42201 0.80 ACHE (0.48) RAB9AACHEBACE1MEN1KMT2A
SCHEMBL10104907 0.80 ACHE (0.48) RAB9AACHEBACE1MEN1KMT2A
SCHEMBL43399 0.80 ACHE (0.48) RAB9AACHEBACE1MEN1KMT2A
SCHEMBL43329 0.79 NPC1 (0.65) NPC1RAB9APKMAPPACHE
SCHEMBL38403 0.79 ERCC1 (0.42) RAB9AACHEBACE1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484664-B1 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO (JP) 2013-09-04 EP disclosed
US-8367835-B2 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-02-05 US disclosed
EP-2484664-A1 Cyclic amine-1-carboxylic acid ester derivative and pharmaceutical composition containing the same Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-08-08 EP disclosed
US-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
EP-2277861-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-26 EP 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-20120028937-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HRH3, ARG1, CNR1 NPC1 2291/4885RAB9A 1528/4885PKM 1800/4885

“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.