SCHEMBL42425

SCHEMBL42425

COc1cc(CNC(=O)C2CN(C(=O)OC(C)(C)C)C2)ccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.73
RAB9A P51151 3/20 0.73
PKM P14618 1/20 0.73
APP P05067 5/20 0.63
ACHE P22303 1/20 0.55
BACE1 P56817 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TACR1 P25103 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 2/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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
SCHEMBL42173 0.92 NPC1 (0.75) NPC1RAB9APKMAPPACHE
SCHEMBL44193 0.91 NPC1 (0.69) NPC1RAB9APKMAPPACHE
SCHEMBL43329 0.83 NPC1 (0.65) NPC1RAB9APKMAPPACHE
SCHEMBL4921942 0.83 TACR1 (0.56) MEN1KMT2AALDH1A1GAATACR1
SCHEMBL11897045 0.81 NPC1 (0.73) NPC1RAB9APKMAPPACHE
SCHEMBL11897043 0.81 NPC1 (0.73) NPC1RAB9APKMAPPACHE
SCHEMBL43690 0.81 NPC1 (0.64) NPC1RAB9APKMAPPACHE
SCHEMBL42585 0.81 NPC1 (0.83) NPC1RAB9APKMAPPACHE
Hydrochloric Acid SCHEMBL43466 0.81 NPC1 (0.86) NPC1RAB9APKMAPPACHE
Hydrochloric Acid SCHEMBL43718 0.80 NPC1 (0.82) NPC1RAB9APKMAPPACHE

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.