SCHEMBL66776

SCHEMBL66776

Cc1cccc(CCCN2C[C@H]3CC[C@H](NC(=O)C(c4ccccc4)C(C)C)[C@H]3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KCNH2 Q12809 3/20 0.41
ACKR3 P25106 1/20 0.39
CCR5 P51681 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRM1 P35372 1/20 0.38
ALPL P05186 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCHR1 Q99705 1/20 0.37
XIAP P98170 1/20 0.37
BIRC2 Q13490 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
SCHEMBL16497901 0.92 CACNA1B (0.43) CACNA1BALDH1A1KCNH2OPRM1BIRC2
SCHEMBL67284 0.92 CACNA1B (0.43) CACNA1BALDH1A1KCNH2OPRM1BIRC2
SCHEMBL65706 0.91 CACNA1B (0.44) CACNA1BKCNH2ACKR3CCR5OPRM1
SCHEMBL64734 0.91 CACNA1B (0.43) CACNA1BALDH1A1KCNH2ACKR3CCR5
SCHEMBL65591 0.89 CACNA1B (0.53) CACNA1BKCNH2ACKR3MEN1KMT2A
SCHEMBL66158 0.89 CACNA1B (0.43) CACNA1BKCNH2
SCHEMBL16498031 0.89 CACNA1B (0.43) CACNA1BKCNH2
SCHEMBL66956 0.88 CACNA1B (0.58) CACNA1BKCNH2
SCHEMBL16498047 0.88 CACNA1B (0.58) CACNA1BKCNH2
SCHEMBL67482 0.86 CACNA1B (0.45) CACNA1BKDM4EKCNH2ACKR3MEN1

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 CACNA1B 5/4885KDM4E 2451/4885ALDH1A1 556/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KDM4E 2451/4885ALDH1A1 556/4885

“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.