SCHEMBL64734

SCHEMBL64734

CC(C)C(C(=O)N[C@H]1CC[C@@H]2CN(CCCc3cccc(Cl)c3)C[C@@H]21)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.43
KCNH2 Q12809 2/20 0.41
CCR5 P51681 2/20 0.40
ACKR3 P25106 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
OPRM1 P35372 1/20 0.37
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37
PLAAT4 Q9UL19 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL67284 0.91 CACNA1B (0.43) CACNA1BKCNH2OPRM1ALDH1A1
SCHEMBL16497901 0.91 CACNA1B (0.43) CACNA1BKCNH2OPRM1ALDH1A1
SCHEMBL66776 0.91 CACNA1B (0.43) CACNA1BKCNH2CCR5ACKR3KMT2A
SCHEMBL65706 0.90 CACNA1B (0.44) CACNA1BKCNH2CCR5ACKR3SIGMAR1
SCHEMBL67438 0.90 CACNA1B (0.53) CACNA1BKCNH2CCR5ACKR3KMT2A
SCHEMBL16497983 0.90 CACNA1B (0.53) CACNA1BKCNH2CCR5ACKR3KMT2A
SCHEMBL67430 0.89 METAP2 (0.40) CACNA1BKCNH2CCR5
SCHEMBL66158 0.89 CACNA1B (0.43) CACNA1BKCNH2SIGMAR1
SCHEMBL16498031 0.89 CACNA1B (0.43) CACNA1BKCNH2SIGMAR1
SCHEMBL66956 0.88 CACNA1B (0.58) CACNA1BKCNH2

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 5/4885KCNH2 24/4885CCR5 2538/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885CCR5 2538/4885

“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.