SCHEMBL2849997

SCHEMBL2849997

CCCN(C(=O)[C@H](CC(C)(C)C)N(C)C(=O)O)[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.53
TRPV4 Q9HBA0 3/20 0.38
GAA P10253 2/20 0.37
CCR5 P51681 1/20 0.35
HPGD P15428 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL67924 0.94 CACNA1B (0.49) CACNA1BTRPV4GAACCR5HPGD
SCHEMBL2457600 0.94 CACNA1B (0.54) CACNA1BTRPV4GAACCR5HSD11B1
SCHEMBL2851897 0.94 CACNA1B (0.54) CACNA1BTRPV4GAACCR5HSD11B1
SCHEMBL67923 0.91 CACNA1B (0.50) CACNA1BTRPV4GAACCR5HSD11B1
SCHEMBL2844230 0.90 CACNA1B (0.53) CACNA1BTRPV4GAAHSD11B1
SCHEMBL2454971 0.90 CACNA1B (0.53) CACNA1BTRPV4GAAHSD11B1
SCHEMBL2846870 0.89 CACNA1B (0.56) CACNA1BTRPV4GAAHSD11B1
SCHEMBL66321 0.88 CACNA1B (0.50) CACNA1BTRPV4GAACCR5HSD11B1
SCHEMBL2842299 0.87 CACNA1B (0.67) CACNA1BTRPV4GAA
SCHEMBL66499 0.85 CACNA1B (0.49) CACNA1BTRPV4GAAHSD11B1

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 5/4885TRPV4 30/4885GAA 2205/4885

“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.