SCHEMBL13621092

SCHEMBL13621092

CC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(C)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CHRM3 P20309 6/20 0.46
▸ CHRM4 P08173 2/20 0.46
▸ CHRM5 P08912 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ CCR6 P51684 1/20 0.41
▸ KCNH2 Q12809 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
SCHEMBL14000465 0.87 ATM (0.51) ATML3MBTL1ALDH1A1CYP1A2CHRM3
SCHEMBL954586 0.87 ATM (0.51) ATML3MBTL1ALDH1A1CYP1A2CHRM3
SCHEMBL954588 0.87 ATM (0.51) ATML3MBTL1ALDH1A1CYP1A2CHRM3
SCHEMBL11725897 0.84 ATM (0.49) ATML3MBTL1ALDH1A1CYP1A2CHRM3
SCHEMBL11727212 0.83 CHRM3 (0.52) ATML3MBTL1ALDH1A1CYP1A2CHRM3
SCHEMBL13785557 0.82 DRD2 (0.47) CHRM3CHRM4CHRM5CHRM1CYP3A4
SCHEMBL14518960 0.81 KCNH2 (0.44) ALDH1A1CHRM3CHRM4CHRM5CHRM1
SCHEMBL13601296 0.81 OPRM1 (0.44) CHRM3CHRM4CHRM5CHRM1CYP3A4
SCHEMBL13785561 0.80 CYP2J2 (0.49) CHRM3CHRM4CHRM5CHRM1CYP3A4
SCHEMBL13785556 0.80 CYP2J2 (0.51) CHRM3CHRM4CHRM5CHRM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615566-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2009-11-10 — — US disclosed
US-20080146649-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-19 — — 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-20080146649-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 ATM 3782/4885L3MBTL1 4423/4885ALDH1A1 900/4885

“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.

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