SCHEMBL67302

SCHEMBL67302

O=C(N[C@H]1CC[C@H]2CN(Cc3cccc(OC(F)(F)F)c3)C[C@H]21)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.77
KCNH2 Q12809 4/20 0.77
EPHX1 P07099 1/20 0.45
ACKR3 P25106 1/20 0.42
MCHR1 Q99705 1/20 0.42
ABL1 P00519 1/20 0.41
CHRM4 P08173 2/20 0.41
TEAD1 P28347 1/20 0.40
SCN9A Q15858 2/20 0.40
DRD4 P21917 1/20 0.40
SLC6A9 P48067 1/20 0.40
CCR2 P41597 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL66902 0.87 CACNA1B (1.00) CACNA1BKCNH2EPHX1ACKR3DRD4
SCHEMBL65951 0.87 CACNA1B (1.00) CACNA1BKCNH2EPHX1ACKR3DRD4
SCHEMBL64797 0.87 CACNA1B (1.00) CACNA1BKCNH2EPHX1ACKR3DRD4
SCHEMBL67278 0.87 CACNA1B (1.00) CACNA1BKCNH2EPHX1ACKR3DRD4
SCHEMBL66974 0.87 CACNA1B (1.00) CACNA1BKCNH2EPHX1ACKR3DRD4
SCHEMBL66821 0.86 CACNA1B (0.78) CACNA1BKCNH2ACKR3
SCHEMBL66870 0.84 CACNA1B (0.75) CACNA1BKCNH2ACKR3DRD4
SCHEMBL2840316 0.83 CACNA1B (0.74) CACNA1BKCNH2SCN9ADRD4
SCHEMBL66676 0.83 CACNA1B (0.74) CACNA1BKCNH2SCN9ADRD4
SCHEMBL66978 0.83 CACNA1B (0.74) CACNA1BKCNH2SCN9ADRD4

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 8 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
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO 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
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO 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 24/4885EPHX1 945/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885EPHX1 945/4885

“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.