SCHEMBL2535979

SCHEMBL2535979

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DUT P33316 1/20 0.38
ADRA1B P35368 1/20 0.38
EPHX2 P34913 1/20 0.38
TACR1 P25103 1/20 0.38
HPGD P15428 1/20 0.37
NPC1L1 Q9UHC9 1/20 0.37
TP53 P04637 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2313205 0.88 EPHX2 (0.50) EPHX2
SCHEMBL2538790 0.84 ALDH1A1 (0.54) MEN1KMT2AL3MBTL1HPGDALDH1A1
SCHEMBL2543025 0.84 HPGD (0.53) MEN1KMT2ANPSR1LMNAHPGD
SCHEMBL2536846 0.79 GPR139 (0.42) ALDH1A1
SCHEMBL2310361 0.79 TP53 (0.57) KMT2ANPSR1HPGDTP53ALDH1A1
SCHEMBL2310569 0.79 CYP2D6 (0.46) KMT2ALMNAADRA1BALDH1A1
SCHEMBL2307089 0.78 TDP1 (0.38) KMT2ALMNANPC1L1ALDH1A1
SCHEMBL2544151 0.78 OPRM1 (0.39) MEN1KMT2ALMNAL3MBTL1ADRA1B
SCHEMBL2311801 0.77 NPSR1 (0.44) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL2307184 0.77 POLB (0.41)

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 claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US 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 MEN1 1085/4885KMT2A 3931/4885NPSR1 568/4885

“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.