SCHEMBL5347104

SCHEMBL5347104

C[C@@H]1CCCN1[C@@H](CO)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.47
HRH3 Q9Y5N1 8/20 0.45
ALDH1A1 P00352 1/20 0.43
OPRL1 P41146 1/20 0.42

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
SCHEMBL31649403 0.80 OPRL1 (0.41) KDM4EOPRL1
SCHEMBL11947613 0.79 OPRL1 (0.40) KDM4EOPRL1
SCHEMBL14389977 0.79 OPRL1 (0.40) KDM4EOPRL1
SCHEMBL13291353 0.78 KDM4E (0.56) KDM4ELMNAHRH3ALDH1A1OPRL1
SCHEMBL14257980 0.78 KDM4E (0.56) KDM4ELMNAHRH3ALDH1A1OPRL1
SCHEMBL13224040 0.78 OPRL1 (0.40) OPRL1
SCHEMBL3459211 0.78 OPRL1 (0.40) OPRL1
SCHEMBL13224067 0.77 OPRL1 (0.37) KDM4EOPRL1
SCHEMBL12734546 0.77 CYP2D6 (0.41) OPRL1
SCHEMBL12734441 0.77 CYP2D6 (0.41) OPRL1

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-7244852-B2 Process for preparing 2-methylpyrrolidine and specific enantiomers thereof ABBOTT LABORATORIES (US) 2007-07-17 US disclosed
EP-1601650-A2 PROCESS FOR PREPARING 2-METHYLPYRROLIDINE AND SPECIFIC ENANTIOMERS THEREOF Abbott Laboratories (US) 2005-12-07 EP disclosed
US-20040260100-A1 Process for preparing 2-methylpyrrolidine and specific enantiomers thereof ABBVIE INC. 2004-12-23 US disclosed
WO-2004076388-A2 PROCESS FOR PREPARING 2-METHYLPYRROLIDINE AND SPECIFIC ENANTIOMERS THEREOF ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed
US-20040171845-A1 Process for preparing 2-methylpyrrolidine and specific enantiomers thereof ABBOTT LABORATORIES 2004-09-02 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-20040171845-A1 Process for preparing 2-methylpyrrolidine and specific enantiomers thereof QDPR, PNMT, MTAP KDM4E 239/4885LMNA 3055/4885HRH3 816/4885
US-20040260100-A1 Process for preparing 2-methylpyrrolidine and specific enantiomers thereof QDPR, PNMT, MTAP KDM4E 239/4885LMNA 3055/4885HRH3 816/4885

“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.