SCHEMBL1335166

SCHEMBL1335166

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

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.60
GBA1 P04062 1/20 0.51
ALDH1A1 P00352 1/20 0.50
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
GRIN2B Q13224 3/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL46428 1.00 FUCA1 (0.60) FUCA1GBA1ALDH1A1DRD2DRD3
SCHEMBL16497869 1.00 FUCA1 (0.60) FUCA1GBA1ALDH1A1DRD2DRD3
SCHEMBL67177 1.00 FUCA1 (0.60) FUCA1GBA1ALDH1A1DRD2DRD3
SCHEMBL19779526 0.91 FUCA1 (0.57) FUCA1GBA1ALDH1A1DRD2DRD3
SCHEMBL21480198 0.91 FUCA1 (0.57) FUCA1GBA1ALDH1A1DRD2DRD3
SCHEMBL19779531 0.91 FUCA1 (0.57) FUCA1GBA1ALDH1A1DRD2DRD3
SCHEMBL1707693 0.83 FUCA1 (0.68) FUCA1GBA1ALDH1A1DRD2DRD3
SCHEMBL12371118 0.83 FUCA1 (0.68) FUCA1GBA1ALDH1A1DRD2DRD3
SCHEMBL1707725 0.83 FUCA1 (0.68) FUCA1GBA1ALDH1A1DRD2DRD3
SCHEMBL1707691 0.83 FUCA1 (0.68) FUCA1GBA1ALDH1A1DRD2DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 US claimed
US-8796470-B2 Substituted octahydrocyclopenta[c]pyrroles as calcium channel modulators ABBVIE INC. (US) 2014-08-05 US disclosed
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 US disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S FUCA1 4496/4885GBA1 1067/4885ALDH1A1 556/4885
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ORAI1, CACNA1E, RYR1 FUCA1 4840/4885GBA1 2363/4885ALDH1A1 1636/4885

“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.