SCHEMBL67567

SCHEMBL67567

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.47
OPRK1 P41145 1/20 0.37
TSHR P16473 1/20 0.35
USP5 P45974 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL65748 0.90 CACNA1B (0.49) CACNA1BTSHRHPGDSMN1; SMN2
SCHEMBL68098 0.90 TSHR (0.45) CACNA1BTSHRCYP2D6CYP2C19
SCHEMBL67140 0.90 TSHR (0.45) CACNA1BTSHRCYP2D6CYP2C19
SCHEMBL65030 0.88 CACNA1B (0.52) CACNA1BTSHRHPGDSMN1; SMN2
SCHEMBL67542 0.88 CACNA1B (0.43) CACNA1BCYP2D6CYP2C19USP2
SCHEMBL66966 0.88 CACNA1B (0.45) CACNA1BTSHRCYP2D6CYP2C19
SCHEMBL66689 0.83 MEN1 (0.43) CACNA1BCYP19A1USP2HPGDSMN1; SMN2
SCHEMBL65654 0.80 CACNA1B (0.44) CACNA1BTSHRCYP2C19
SCHEMBL66035 0.79 CACNA1B (0.45) CACNA1BTSHRCYP2C19
SCHEMBL67478 0.78 HPGD (0.40) CACNA1BUSP2HPGDSMN1; SMN2

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 5/4885OPRK1 146/4885TSHR 1768/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885OPRK1 146/4885TSHR 1768/4885

“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.