SCHEMBL2307089

SCHEMBL2307089

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(NCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 4/20 0.35
OPRL1 P41146 4/20 0.35
KMT2A Q03164 1/20 0.35
NPY5R Q15761 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
TPSAB1 Q15661 1/20 0.35

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
SCHEMBL2310687 0.83 NPY2R (0.39) TDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL2309540 0.82 MGLL (0.39) TDP1HDAC1HDAC10HDAC8HDAC6
SCHEMBL2309756 0.80 OPRM1 (0.41) TDP1HDAC1HDAC10HDAC8HDAC6
SCHEMBL2308976 0.78 USP2 (0.57) KDM4EALDH1A1KMT2A
SCHEMBL2535979 0.78 MEN1 (0.39) ALDH1A1LMNAKMT2ANPC1L1
SCHEMBL2312529 0.78 TEAD1 (0.54) KMT2A
SCHEMBL2540673 0.77 NPC1L1 (0.57) KMT2ANPC1L1
SCHEMBL2308302 0.77 ALDH1A1 (0.40) TDP1KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2379745 0.77 NPC1L1 (0.46) OPRM1OPRL1NPC1L1
SCHEMBL2310823 0.77 OPRM1 (0.49) LMNAOPRM1OPRL1KMT2A

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 8 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
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO claimed
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 TDP1 2899/4885HDAC1 1048/4885HDAC10 1563/4885

“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.