SCHEMBL2308735

SCHEMBL2308735

O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
OPRL1 P41146 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CHRM3 P20309 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
CHRM4 P08173 1/20 0.45
TACR1 P25103 1/20 0.45
LMNA P02545 2/20 0.43
ALDH1A2 O94788 1/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
ALDH1A3 P47895 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL2310295 0.94 FAAH (0.55) FAAHALDH1A1KDM4EGAAOPRL1
SCHEMBL2537037 0.93 FAAH (0.47) FAAHALDH1A1KDM4EGAAOPRL1
SCHEMBL2314391 0.90 SIGMAR1 (0.51) FAAHALDH1A1KDM4EGAAOPRL1
SCHEMBL2538920 0.87 FAAH (0.48) FAAHALDH1A1KDM4EGAAOPRL1
SCHEMBL2311622 0.86 ATM (0.57) FAAHALDH1A1KDM4EKMT2AMEN1
SCHEMBL2306005 0.86 FAAH (0.43) FAAHALDH1A1TACR1
SCHEMBL2308339 0.85 FAAH (0.46) FAAHALDH1A1KDM4EGAAKMT2A
SCHEMBL2540238 0.84 KCNH2 (0.54) FAAHALDH1A1KDM4EGAAOPRL1
SCHEMBL2364115 0.84 SIGMAR1 (0.65) CHRM3SIGMAR1CHRM4
SCHEMBL2309087 0.83 DRD2 (0.43) FAAHALDH1A1OPRL1KMT2AMEN1

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 6 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
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 FAAH 2437/4885ALDH1A1 1622/4885KDM4E 3816/4885

“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.