SCHEMBL66821

SCHEMBL66821

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

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.78
KCNH2 Q12809 2/20 0.78
SIGMAR1 Q99720 5/20 0.45
ALDH1A1 P00352 4/20 0.44
ACKR3 P25106 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CCR3 P51677 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CDK9 P50750 1/20 0.41

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
SCHEMBL65481 0.89 CACNA1B (0.63) CACNA1BKCNH2SIGMAR1ALDH1A1
SCHEMBL66870 0.89 CACNA1B (0.75) CACNA1BKCNH2ACKR3
SCHEMBL67493 0.88 CACNA1B (0.69) CACNA1BKCNH2SIGMAR1ALDH1A1KDM4E
SCHEMBL65348 0.88 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL16497968 0.88 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL16497950 0.88 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL2840316 0.88 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL66978 0.88 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL66676 0.88 CACNA1B (0.74) CACNA1BKCNH2SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL66902 0.88 CACNA1B (1.00) CACNA1BKCNH2SIGMAR1ALDH1A1ACKR3

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 24/4885SIGMAR1 576/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S CACNA1B 5/4885KCNH2 24/4885SIGMAR1 576/4885

“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.