SCHEMBL2845124

SCHEMBL2845124

O=C(N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@@H]21)[C@@H]1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.57
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.42
MMP8 P22894 2/20 0.41
MMP3 P08254 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
SCHEMBL66972 0.90 CACNA1B (0.56) CACNA1BLMNASMN1; SMN2GAA
SCHEMBL16497986 0.85 CACNA1B (0.61) CACNA1BLMNASMN1; SMN2
SCHEMBL16497704 0.85 CACNA1B (0.61) CACNA1BLMNASMN1; SMN2
SCHEMBL16497855 0.85 CACNA1B (0.61) CACNA1BLMNASMN1; SMN2
SCHEMBL2422335 0.84 CACNA1B (0.60) CACNA1BLMNASMN1; SMN2
SCHEMBL2844339 0.84 CACNA1B (0.60) CACNA1BLMNASMN1; SMN2
SCHEMBL66973 0.83 CACNA1B (0.55) CACNA1BLMNASMN1; SMN2GAA
SCHEMBL66959 0.83 CACNA1B (0.62) CACNA1BLMNASMN1; SMN2GAA
SCHEMBL2422009 0.81 CACNA1B (0.72) CACNA1BLMNA
SCHEMBL66782 0.78 CACNA1B (0.58) CACNA1BLMNASMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US claimed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885LMNA 598/4885SMN1; SMN2 1139/4885

“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.