SCHEMBL2311074

SCHEMBL2311074

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
ADAMTS5 Q9UNA0 2/20 0.45
NPC1L1 Q9UHC9 5/20 0.44
CHRM4 P08173 1/20 0.43
TACR1 P25103 4/20 0.42
CCR1 P32246 1/20 0.41

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
SCHEMBL2309876 0.89 CHRM2 (0.46) RAB9AALDH1A1GAAADAMTS5NPC1L1
SCHEMBL2309856 0.85 LMNA (0.44) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2311931 0.85 OPRM1 (0.42) ALDH1A1MAPTCHRM4
SCHEMBL2311920 0.84 PPID (0.42) ALDH1A1MAPT
SCHEMBL2312630 0.84 CPT1A (0.42) ALDH1A1MAPTSMN1; SMN2
SCHEMBL2310630 0.84 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2ADAMTS5NPC1L1
SCHEMBL2312344 0.83 ALDH1A1 (0.54) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2307336 0.82 CHRM4 (0.48) RAB9AGAAADAMTS5CHRM4TACR1
SCHEMBL2313548 0.82 ALDH1A1 (0.44) RAB9AALDH1A1GAANPC1L1TACR1
SCHEMBL2310367 0.82 FNTA (0.40) MAPTCHRM4

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 RAB9A 1812/4885ALDH1A1 1622/4885GAA 3281/4885

“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.