SCHEMBL2309701

SCHEMBL2309701

O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)NC1CN(Cc2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.39
CACNA1G O43497 1/20 0.39
SIGMAR1 Q99720 10/20 0.38
OPRL1 P41146 1/20 0.38
CCR3 P51677 3/20 0.38
GPR183 P32249 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL2545925 0.84 CACNA1G (0.54) CACNA1GSIGMAR1CCR3
SCHEMBL2545118 0.82 SIGMAR1 (0.41) CACNA1GSIGMAR1CCR3SMN1; SMN2
SCHEMBL2306028 0.79 SIGMAR1 (0.60) CCR2CACNA1GSIGMAR1
SCHEMBL2380375 0.75 SMN1; SMN2 (0.41) CACNA1GSIGMAR1SMN1; SMN2TP53
SCHEMBL2363774 0.75 SIGMAR1 (0.54) CCR2SIGMAR1OPRL1
SCHEMBL2540413 0.74 SIGMAR1 (0.51) CACNA1GSIGMAR1CCR3
SCHEMBL2544859 0.72 SIGMAR1 (0.43) SIGMAR1SMN1; SMN2
SCHEMBL2309233 0.72 SIGMAR1 (0.67) CCR2SIGMAR1
SCHEMBL2543834 0.71 ALDH1A1 (0.46) SMN1; SMN2
SCHEMBL2543843 0.69 SIGMAR1 (0.58) CCR2SIGMAR1

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 CCR2 2742/4885CACNA1G 10/4885SIGMAR1 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.