SCHEMBL2311622

SCHEMBL2311622

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
FAAH O00519 2/20 0.51
SIGMAR1 Q99720 2/20 0.50
TSHR P16473 3/20 0.49
CHRM2 P08172 2/20 0.49
CHRM3 P20309 2/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
DRD4 P21917 1/20 0.45
CACNA1G O43497 1/20 0.44

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
SCHEMBL2308735 0.86 FAAH (0.53) FAAHSIGMAR1CHRM3ALDH1A1KMT2A
SCHEMBL2308214 0.86 ALDH1A1 (0.52) SIGMAR1TSHRALDH1A1KMT2AMEN1
SCHEMBL2314391 0.83 SIGMAR1 (0.51) FAAHSIGMAR1ALDH1A1KDM4EDRD4
SCHEMBL2306005 0.83 FAAH (0.43) ATMFAAHALDH1A1DRD4
SCHEMBL2381743 0.82 CYP2D6 (0.53) TSHRCHRM2CHRM3ALDH1A1
SCHEMBL2379778 0.80 DDR1 (0.45) TSHRALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2310295 0.80 FAAH (0.55) FAAHSIGMAR1CHRM3ALDH1A1KMT2A
SCHEMBL2310864 0.80 ALDH1A1 (0.54) SIGMAR1TSHRALDH1A1KMT2AMEN1
SCHEMBL2537037 0.79 FAAH (0.47) FAAHTSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL2306876 0.79 MEN1 (0.52) HTR7ALDH1A1SMN1; SMN2KMT2AKDM4E

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 ATM 3405/4885FAAH 2437/4885SIGMAR1 676/4885

“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.