SCHEMBL67839

SCHEMBL67839

CC(C)C(C(=O)N[C@H]1CC[C@@H]2CN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]21)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
KCNH2 Q12809 10/20 0.41
CCR5 P51681 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA1A P35348 2/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL67910 0.99 SIGMAR1 (0.42) SIGMAR1KCNH2CCR5CYP3A4CYP2D6
SCHEMBL67097 0.96 CYP3A4 (0.43) SIGMAR1KCNH2CCR5CYP3A4CYP2D6
SCHEMBL66620 0.93 CCR5 (0.46) KCNH2CCR5CYP2D6SLC6A2SLC6A4
SCHEMBL16497804 0.87 CCR5 (0.43) KCNH2CCR5CYP2D6CACNA1B
SCHEMBL65922 0.87 CCR5 (0.43) KCNH2CCR5CYP2D6CACNA1B
SCHEMBL66158 0.84 CACNA1B (0.43) SIGMAR1KCNH2HRH1CACNA1B
SCHEMBL16498031 0.84 CACNA1B (0.43) SIGMAR1KCNH2HRH1CACNA1B
SCHEMBL67626 0.84 CACNA1B (0.49) SIGMAR1KCNH2RAB9AMEN1KMT2A
SCHEMBL67284 0.83 CACNA1B (0.43) KCNH2USP2CHRM3SLC6A2HTR2A
SCHEMBL16497901 0.83 CACNA1B (0.43) KCNH2USP2CHRM3SLC6A2HTR2A

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 SIGMAR1 576/4885KCNH2 24/4885CCR5 2538/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S SIGMAR1 576/4885KCNH2 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.