SCHEMBL2308607

SCHEMBL2308607

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ME2 P23368 6/20 0.47
ME1 P48163 6/20 0.47
ME3 Q16798 6/20 0.47
CHRM1 P11229 1/20 0.44
HSD17B10 Q99714 2/20 0.42
NAMPT P43490 1/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 2/20 0.41
PANK3 Q9H999 1/20 0.41
DEGS1 O15121 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL2380691 0.78 L3MBTL1 (0.46) HSD17B10DRD2DRD4ALDH1A1CYP3A4
SCHEMBL2542785 0.78 ALDH1A1 (0.57) ALDH1A1
SCHEMBL2305958 0.77 CACNA2D1 (0.59) ALDH1A1
SCHEMBL2311837 0.76 NPSR1 (0.57) ALDH1A1
SCHEMBL2379745 0.76 NPC1L1 (0.46) CHRM1
SCHEMBL2310823 0.76 OPRM1 (0.49) CHRM1CYP2C9
SCHEMBL2310864 0.75 ALDH1A1 (0.54) ALDH1A1
SCHEMBL2306876 0.74 MEN1 (0.52) DRD4KDM4EALDH1A1RECQL
SCHEMBL2381294 0.74 L3MBTL1 (0.48) DRD2DRD4ALDH1A1CYP3A4CYP2C9
SCHEMBL2308976 0.73 USP2 (0.57) KDM4EALDH1A1CYP3A4

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 ME2 2543/4885ME1 2314/4885ME3 3678/4885

“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.