SCHEMBL44140

SCHEMBL44140

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nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.38
CHRNA4 P43681 11/20 0.38
CHRNB4 P30926 10/20 0.38
CHRNA3 P32297 10/20 0.38
CHRNA7 P36544 9/20 0.33

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
SCHEMBL15908888 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL37704 1.00 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7501464 0.79 HCRTR2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL37905 0.77 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15908968 0.77 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL37741 0.77 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15908962 0.72 L3MBTL1 (0.47)
SCHEMBL19771723 0.67 HTT (0.33)
SCHEMBL21797739 0.66 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21797663 0.66 CHRNB2 (0.31) CHRNB2CHRNA4CHRNB4CHRNA3

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
WO-2011149993-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 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 (1 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-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ORAI1, CACNA1E, RYR1 CHRNB2 583/4885CHRNA4 484/4885CHRNB4 799/4885

“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.