SCHEMBL2314675

SCHEMBL2314675

O=C(O)CCCN1CCC(c2ccccc2)(c2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
ADRA1B P35368 1/20 0.40
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
OPRM1 P35372 3/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KDM4E B2RXH2 2/20 0.38
OPRD1 P41143 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL2312275 0.82 ADRA1B (0.42) ADRA1BOPRM1OPRD1MEN1KMT2A
SCHEMBL2310569 0.82 CYP2D6 (0.46) ADRA1BPOLBKMT2ATDP1
SCHEMBL2310052 0.79 ADRA1B (0.40) ADRA1BBACE1BACE2OPRM1MEN1
SCHEMBL2309991 0.77 ADRA1B (0.41) ADRA1BOPRM1MEN1POLBKMT2A
SCHEMBL18408950 0.75 ADRA1B (0.46) ADRA1BBACE1BACE2OPRM1OPRD1
SCHEMBL2538803 0.75 NAMPT (0.40) OPRM1KDM4EMAPTTSHR
SCHEMBL2311285 0.74 ALDH1A1 (0.44) MEN1POLBKMT2A
SCHEMBL2309924 0.73 ADRA1B (0.42) ADRA1BOPRM1MEN1KMT2A
SCHEMBL2306943 0.72 ADRA1B (0.37) ADRA1BOPRM1OPRD1ATMTSHR
SCHEMBL2538790 0.72 ALDH1A1 (0.54) KDM4EMEN1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D DRD2 890/4885FABP4 2224/4885FABP5 2654/4885

“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.