SCHEMBL1349548

SCHEMBL1349548

N#CC1(N2CCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL15194564 0.97 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL15194472 0.97 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL9726985 0.97 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL9853462 0.92 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL3237003 0.92 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL1350511 0.92 ALDH1A1 (0.36) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL9853465 0.90 ALDH1A1 (0.35) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL1742367 0.90 ALDH1A1 (0.39) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL8510561 0.90 ALDH1A1 (0.39) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL1347911 0.90 ALDH1A1 (0.35) ALDH1A1CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814822-B1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
WO-2013120921-A9 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-10-08 WO disclosed
EP-2814822-A1 NOVEL PYRROLIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-12-24 EP disclosed
US-8802665-B2 Pyrrolidine derivatives GENENTECH, INC. (US) 2014-08-12 US disclosed
WO-2013120921-A1 NOVEL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO disclosed
US-20130217665-A1 NOVEL PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-08-22 US disclosed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063098-B2 GlyT1 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
WO-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 WO disclosed
WO-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 WO disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US disclosed
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-02-25 US disclosed
EP-1170281-B1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2005-12-21 EP disclosed
US-6943184-B2 1,1- and 1,2-disubstituted cyclopropane compounds LES LABORATORIES SERVIER (FR) 2005-09-13 US disclosed
US-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds GOLDSTEIN SOLO (FR) 2005-02-10 US disclosed
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds ADIR ET COMPAGNIE (FR) 2002-02-21 US disclosed
EP-1170281-A1 1,1- and 1,2-disubstituted cyclopropanes, process for their preparation and pharmaceutical compositions thereof LES LABORATOIRES SERVIER (FR) 2002-01-09 EP 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 (4 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-20050032845-A1 1,1-and 1,2-disubstituted cyclopropane compounds CHRNA1, CHRNA4, CHRNB1 ALDH1A1 582/4885CTSL 3363/4885CTSB 3767/4885
US-20020022643-A1 1,1- and 1,2-disubstituted cyclopropane compounds HCAR1, CHRNA1, CNR1 ALDH1A1 575/4885CTSL 2427/4885CTSB 3216/4885
US-20100048531-A1 GlyT1 RECEPTOR ANTAGONISTS GLRA1, GLRA2, GRIA1 ALDH1A1 1116/4885CTSL 4550/4885CTSB 4234/4885
US-20130217665-A1 NOVEL PYRROLIDINE DERIVATIVES PYCR1, ADCYAP1R1, AVPR1A ALDH1A1 121/4885CTSL 1396/4885CTSB 1721/4885

“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.