SCHEMBL44441

SCHEMBL44441

COc1cc(CNC(=O)C2CCCNC2)ccc1OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.76
RAB9A P51151 4/20 0.76
PKM P14618 1/20 0.76
APP P05067 6/20 0.55
KDM4E B2RXH2 1/20 0.55
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
F10 P00742 1/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL44440 1.00 NPC1 (0.76) NPC1RAB9APKMAPPKDM4E
SCHEMBL42585 0.91 NPC1 (0.83) NPC1RAB9APKMAPPACHE
Hydrochloric Acid SCHEMBL43718 0.90 NPC1 (0.82) NPC1RAB9APKMAPPACHE
Hydrochloric Acid SCHEMBL43466 0.88 NPC1 (0.86) NPC1RAB9APKMAPPKDM4E
SCHEMBL11897045 0.81 NPC1 (0.73) NPC1RAB9APKMAPPACHE
SCHEMBL11897043 0.81 NPC1 (0.73) NPC1RAB9APKMAPPACHE
SCHEMBL4434645 0.80 ALDH1A1 (0.70) F10ALDH1A1SMN1; SMN2
SCHEMBL2444405 0.80 ALDH1A1 (0.70) F10ALDH1A1SMN1; SMN2
SCHEMBL2450508 0.79 ALDH1A1 (0.60) PKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL22163700 0.78 HTR2C (0.65) NPC1RAB9APKMAPPF10

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.