SCHEMBL2463373

SCHEMBL2463373

O=CCC1CCCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRK1 P41145 3/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL17395379 1.00 POLB (0.40) POLBL3MBTL1HRH3NPC1RAB9A
SCHEMBL17395471 0.98 POLB (0.39) POLBL3MBTL1HRH3NPC1RAB9A
SCHEMBL17395349 0.94 POLB (0.46) POLBL3MBTL1HRH3CYP2C19
SCHEMBL2463332 0.94 POLB (0.46) POLBL3MBTL1HRH3CYP2C19
SCHEMBL17395463 0.94 POLB (0.46) POLBL3MBTL1HRH3CYP2C19
SCHEMBL17395506 0.86 POLB (0.31) POLBL3MBTL1
SCHEMBL7073933 0.84 CHRNB2 (0.40) POLBL3MBTL1HRH3NPC1RAB9A
SCHEMBL30874123 0.84 POLB (0.39) POLBL3MBTL1HRH3NPC1OPRK1
SCHEMBL1257532 0.81 POLB (0.42) POLBL3MBTL1HRH3NPC1RAB9A
SCHEMBL1778076 0.81 POLB (0.42) POLBL3MBTL1HRH3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107540599-A Aminoidan compound and its purposes for treating pain 阿萨纳生物科技有限责任公司 2018-01-05 CN disclosed
US-20150094474-A1 AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2015-04-02 US disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
EP-2545046-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-01-16 EP disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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 (2 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-20150094474-A1 AGRICULTURAL CHEMICALS DDT, SQOR, GPX4 POLB 4355/4885L3MBTL1 1062/4885HRH3 2569/4885
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B POLB 2702/4885L3MBTL1 966/4885HRH3 159/4885

“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.