SCHEMBL66689

SCHEMBL66689

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CACNA1B Q00975 7/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.38
CYP19A1 P11511 1/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
AKR1C3 P42330 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL67478 0.92 HPGD (0.40) MEN1KMT2ACACNA1BHPGDSMN1; SMN2
SCHEMBL65654 0.87 CACNA1B (0.44) MEN1KMT2ACACNA1BL3MBTL1
SCHEMBL67422 0.84 EPHX2 (0.40) KMT2ACACNA1BSMN1; SMN2LMNAAKR1C3
SCHEMBL66893 0.84 MAPT (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1POLB
SCHEMBL67567 0.83 CACNA1B (0.47) CACNA1BHPGDSMN1; SMN2USP2CYP19A1
SCHEMBL67585 0.82 CACNA1B (0.42) MEN1KMT2ACACNA1BHPGDLMNA
SCHEMBL67157 0.82 CACNA1B (0.42) CACNA1BHPGDSMN1; SMN2CA1CA2
SCHEMBL66028 0.82 CACNA1B (0.43) MEN1KMT2ACACNA1BSMN1; SMN2POLB
SCHEMBL68187 0.82 ALDH1A1 (0.45) KMT2ACACNA1BHPGDL3MBTL1LMNA
SCHEMBL66907 0.82 CACNA1B (0.47) MEN1KMT2ACACNA1BPOLB

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 MEN1 1286/4885KMT2A 3363/4885CACNA1B 5/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S MEN1 1286/4885KMT2A 3363/4885CACNA1B 5/4885

“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.