SCHEMBL2545925

SCHEMBL2545925

O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)NC1CN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.54
SIGMAR1 Q99720 9/20 0.50
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
SLC6A12 P48065 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
MCHR1 Q99705 1/20 0.45
BACE1 P56817 2/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CCR3 P51677 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
SCHEMBL2309701 0.84 CCR2 (0.39) CACNA1GSIGMAR1CCR3
SCHEMBL2380375 0.80 SMN1; SMN2 (0.41) CACNA1GSIGMAR1
SCHEMBL2306028 0.80 SIGMAR1 (0.60) CACNA1GSIGMAR1DRD4
SCHEMBL2363774 0.78 SIGMAR1 (0.54) SIGMAR1DRD4
SCHEMBL2545118 0.77 SIGMAR1 (0.41) CACNA1GSIGMAR1DRD4CCR3
SCHEMBL2310361 0.77 TP53 (0.57)
SCHEMBL2309716 0.77 CYP2D6 (0.46) SIGMAR1DRD2
SCHEMBL2535983 0.76 MAPT (0.44)
SCHEMBL2309063 0.76 FAAH (0.50) DRD4
SCHEMBL2309233 0.75 SIGMAR1 (0.67) SIGMAR1DRD4

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 4 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
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US 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 CACNA1G 10/4885SIGMAR1 676/4885DRD2 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.