SCHEMBL2847159

SCHEMBL2847159

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.55
KCNH2 Q12809 2/20 0.49
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL2841775 1.00 CACNA1B (0.55) CACNA1BKCNH2CTSLCTSBCTSS
SCHEMBL66149 1.00 CACNA1B (0.55) CACNA1BKCNH2CTSLCTSBCTSS
SCHEMBL16497936 1.00 CACNA1B (0.55) CACNA1BKCNH2CTSLCTSBCTSS
SCHEMBL2850376 1.00 CACNA1B (0.55) CACNA1BKCNH2CTSLCTSBCTSS
SCHEMBL16497891 1.00 CACNA1B (0.55) CACNA1BKCNH2CTSLCTSBCTSS
SCHEMBL2847786 0.92 CACNA1B (0.51) CACNA1BKCNH2CTSLCTSBCTSS
SCHEMBL66415 0.89 CACNA1B (0.49) CACNA1BKCNH2ALDH1A1
SCHEMBL2844091 0.89 CACNA1B (0.49) CACNA1BKCNH2ALDH1A1
SCHEMBL2850333 0.89 CACNA1B (0.49) CACNA1BKCNH2ALDH1A1
SCHEMBL2851490 0.89 CACNA1B (0.49) 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 24/4885CTSL 1186/4885

“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.