SCHEMBL2844091

SCHEMBL2844091

CCC[C@@H](C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)N(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.49
KCNH2 Q12809 2/20 0.49
MME P08473 1/20 0.41
BCHE P06276 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SCN9A Q15858 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2851490 1.00 CACNA1B (0.49) CACNA1BKCNH2MMEBCHEALDH1A1
SCHEMBL2850333 1.00 CACNA1B (0.49) CACNA1BKCNH2MMEBCHEALDH1A1
SCHEMBL66414 1.00 CACNA1B (0.49) CACNA1BKCNH2MMEBCHEALDH1A1
SCHEMBL66415 1.00 CACNA1B (0.49) CACNA1BKCNH2MMEBCHEALDH1A1
SCHEMBL2839553 0.94 CACNA1B (0.48) CACNA1BKCNH2BCHEALDH1A1SCN9A
SCHEMBL2849916 0.92 CACNA1B (0.45) CACNA1BKCNH2MME
SCHEMBL16497830 0.92 CACNA1B (0.45) CACNA1BKCNH2MME
SCHEMBL2847790 0.92 CACNA1B (0.45) CACNA1BKCNH2MME
SCHEMBL16497891 0.89 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1
SCHEMBL66149 0.89 CACNA1B (0.55) CACNA1BKCNH2ALDH1A1

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 1 patent. 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

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 5/4885KCNH2 24/4885MME 4689/4885

“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.