SCHEMBL67478

SCHEMBL67478

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
CACNA1B Q00975 5/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
F10 P00742 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL66689 0.92 MEN1 (0.43) HPGDSMN1; SMN2USP2CACNA1BPOLB
SCHEMBL66893 0.86 MAPT (0.44) SMN1; SMN2POLBLMNAMEN1KMT2A
SCHEMBL65654 0.86 CACNA1B (0.44) CACNA1BMEN1KMT2AL3MBTL1
SCHEMBL67585 0.84 CACNA1B (0.42) HPGDCACNA1BLMNAMEN1KMT2A
SCHEMBL66907 0.84 CACNA1B (0.47) CACNA1BPOLBMEN1KMT2A
SCHEMBL66028 0.84 CACNA1B (0.43) SMN1; SMN2CACNA1BPOLBMEN1KMT2A
SCHEMBL68187 0.84 ALDH1A1 (0.45) HPGDCACNA1BLMNAKMT2AL3MBTL1
SCHEMBL68722 0.83 CACNA1B (0.40) CACNA1B
SCHEMBL67422 0.83 EPHX2 (0.40) SMN1; SMN2CACNA1BLMNAKMT2A
SCHEMBL67148 0.83 CHRM1 (0.40) CACNA1BLMNAKMT2AF10

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 6 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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 HPGD 1353/4885SMN1; SMN2 1139/4885USP2 4482/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S HPGD 1353/4885SMN1; SMN2 1139/4885USP2 4482/4885

“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.