SCHEMBL68520

SCHEMBL68520

CN[C@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
ACHE P22303 5/20 0.44
BACE1 P56817 4/20 0.44
BCHE P06276 3/20 0.44
FUCA1 P04066 2/20 0.44
CACNA1B Q00975 2/20 0.44
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 2/20 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
SCHEMBL76455 1.00 KDM1A (0.46) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL66451 0.85 CACNA1B (0.44) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL2840370 0.84 KDM1A (0.48) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL2850700 0.84 KDM1A (0.48) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL2840372 0.84 KDM1A (0.48) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL16497860 0.84 KDM1A (0.48) KDM1AACHEBACE1BCHEFUCA1
SCHEMBL16497761 0.82 CACNA1B (0.51) CACNA1BDRD2DRD3KCNH2
SCHEMBL2420238 0.82 CACNA1B (0.51) CACNA1BDRD2DRD3KCNH2
SCHEMBL2421730 0.82 CACNA1B (0.51) CACNA1BDRD2DRD3KCNH2
SCHEMBL4128561 0.81 KDM1A (0.50) KDM1AACHEBACE1BCHEFUCA1

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 5 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 disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO 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 KDM1A 1644/4885ACHE 315/4885BACE1 410/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S KDM1A 1644/4885ACHE 315/4885BACE1 410/4885

“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.