SCHEMBL66982

SCHEMBL66982

CC(C[C@@H](C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(F)c(C(F)(F)F)c3)C[C@H]21)N(C)C(=O)O)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 16/20 0.48
KCNH2 Q12809 3/20 0.46
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A9 P48067 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 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
SCHEMBL66981 1.00 CACNA1B (0.48) CACNA1BKCNH2CYP3A4CYP2D6SLC6A9
SCHEMBL66766 0.94 CACNA1B (0.48) CACNA1BKCNH2
SCHEMBL66765 0.94 CACNA1B (0.48) CACNA1BKCNH2
SCHEMBL16497934 0.92 CACNA1B (0.55) CACNA1BKCNH2CYP3A4CYP2D6SLC6A9
SCHEMBL2849917 0.92 CACNA1B (0.55) CACNA1BKCNH2CYP3A4CYP2D6SLC6A9
SCHEMBL66596 0.89 CACNA1B (0.51) CACNA1BKCNH2
SCHEMBL66597 0.89 CACNA1B (0.51) CACNA1BKCNH2
SCHEMBL65816 0.89 CACNA1B (0.45) CACNA1BKCNH2
SCHEMBL66423 0.89 CACNA1B (0.45) CACNA1BKCNH2
SCHEMBL65817 0.89 CACNA1B (0.45) CACNA1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
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 (2 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 24/4885CYP3A4 1006/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885CYP3A4 1006/4885

“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.