SCHEMBL2310367

SCHEMBL2310367

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
CHRM2 P08172 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
MAPT P10636 2/20 0.38
DGKA P23743 1/20 0.38
DGKG P49619 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2308854 0.86 FNTA (0.48) FNTAFNTBCHRM2CHRM3CHRM4
SCHEMBL2311931 0.83 OPRM1 (0.42) CHRM2CHRM3CHRM4CHRM1MAPT
SCHEMBL2311074 0.82 RAB9A (0.46) CHRM4MAPT
SCHEMBL2314289 0.80 CACNA2D1 (0.55) NPSR1MEN1KMT2A
SCHEMBL2307819 0.80 OPRM1 (0.51) DRD2DRD4CHRM2CHRM3CHRM4
SCHEMBL2306085 0.80 OPRM1 (0.51) DRD2DRD4CHRM2CHRM3CHRM4
SCHEMBL2380341 0.79 ALDH1A1 (0.40) CHRM2CHRM3CHRM4CHRM1MEN1
SCHEMBL2308063 0.78 OPRM1 (0.47) CHRM2CHRM3CHRM4CHRM1MAPT
SCHEMBL2381415 0.78 NPC1L1 (0.45) CHRM2CHRM3CHRM4CHRM1MEN1
SCHEMBL2312090 0.78 CACNA2D1 (0.55) DRD2NPSR1MEN1KMT2A

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 FNTA 4435/4885FNTB 3659/4885DRD2 890/4885

“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.