SCHEMBL3378000

SCHEMBL3378000

CC(=O)N1CCC(NCCCN)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.46
EPHX1 P07099 4/20 0.46
OPRL1 P41146 3/20 0.44
MAPT P10636 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
SQLE Q14534 1/20 0.39

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
SCHEMBL13207141 0.85 EPHX2 (0.47) EPHX2EPHX1OPRL1MAPT
SCHEMBL5013508 0.85 EPHX2 (0.47) EPHX2EPHX1OPRL1MAPT
SCHEMBL24481225 0.81 EPHX2 (0.50) EPHX2EPHX1OPRL1MAPT
SCHEMBL11897006 0.81 EPHX2 (0.50) EPHX2EPHX1OPRL1MAPT
SCHEMBL3377999 0.80 EPHX2 (0.46) EPHX2EPHX1OPRL1MAPT
SCHEMBL13207153 0.79 EPHX2 (0.49) EPHX2EPHX1OPRL1MAPT
SCHEMBL31580602 0.79 DPP7 (0.37) SMYD3
SCHEMBL18382220 0.77 NCF1 (0.43) OPRL1SMYD3SQLE
SCHEMBL10938895 0.77 EPHX2 (0.53) EPHX2EPHX1MAPT
SCHEMBL23640028 0.77 EPHX2 (0.46) EPHX2EPHX1OPRL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US claimed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 EPHX2 2619/4885EPHX1 3073/4885OPRL1 2336/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 EPHX2 2619/4885EPHX1 3073/4885OPRL1 2336/4885

“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.