SCHEMBL65030

SCHEMBL65030

CC(C)C[C@@H](C(N)=O)N(C)[C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc(F)c3)C[C@H]21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.52
POLB P06746 1/20 0.40
CHRM1 P11229 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
HTR6 P50406 3/20 0.38
EED O75530 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL66966 0.91 CACNA1B (0.45) CACNA1BTSHRALDH1A1
SCHEMBL68098 0.89 TSHR (0.45) CACNA1BTSHRALDH1A1KMT2AMAPT
SCHEMBL67140 0.89 TSHR (0.45) CACNA1BTSHRALDH1A1KMT2AMAPT
SCHEMBL67567 0.88 CACNA1B (0.47) CACNA1BTSHRSMN1; SMN2HPGD
SCHEMBL65748 0.84 CACNA1B (0.49) CACNA1BTSHRSMN1; SMN2GAAHPGD
SCHEMBL1337035 0.83 CACNA1B (0.43) CACNA1BCHRM1
SCHEMBL67542 0.83 CACNA1B (0.43) CACNA1BPOLBKMT2A
SCHEMBL67585 0.80 CACNA1B (0.42) CACNA1BALDH1A1KMT2ANPSR1GAA
SCHEMBL65654 0.79 CACNA1B (0.44) CACNA1BTSHRALDH1A1KMT2AMAPT
SCHEMBL66858 0.78 CACNA1B (0.41) CACNA1BJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US claimed
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 5/4885POLB 3123/4885CHRM1 92/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885POLB 3123/4885CHRM1 92/4885

“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.