SCHEMBL2844859

SCHEMBL2844859

CCC[C@@H](C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(F)c(Cl)c3)C[C@@H]21)N(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.52
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A9 P48067 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL66880 0.91 CACNA1B (0.51) CACNA1BMEN1KMT2ASLC6A9L3MBTL1
SCHEMBL66879 0.89 CACNA1B (0.50) CACNA1BMEN1KMT2A
SCHEMBL2850779 0.88 CACNA1B (0.58) CACNA1BKMT2A
SCHEMBL16497794 0.88 CACNA1B (0.58) CACNA1BKMT2A
SCHEMBL66690 0.85 CACNA1B (0.71) CACNA1BMEN1KMT2ASLC6A9
SCHEMBL16497943 0.84 CACNA1B (0.72) CACNA1B
SCHEMBL66835 0.84 CACNA1B (0.62) CACNA1BSLC6A9
SCHEMBL66834 0.84 CACNA1B (0.62) CACNA1BSLC6A9
SCHEMBL65295 0.84 CACNA1B (0.72) CACNA1B
SCHEMBL16497942 0.84 CACNA1B (0.72) CACNA1B

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
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885MEN1 1286/4885KMT2A 3363/4885

“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.