SCHEMBL1644324

SCHEMBL1644324

Ic1ccc(OC2CCCCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
FAAH O00519 1/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
ACACB O00763 4/20 0.40
HRH3 Q9Y5N1 5/20 0.38
NAMPT P43490 2/20 0.36
TDO2 P48775 1/20 0.36
JAK3 P52333 2/20 0.36
KCNH2 Q12809 1/20 0.35
S1PR1 P21453 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
SCHEMBL22105430 0.95 FAAH (0.43) LOXLOXL2FAAHPDGFRBPDGFRA
SCHEMBL34467391 0.91 FAAH (0.45) LOXLOXL2FAAHACACBHRH3
SCHEMBL18307136 0.83 FAAH (0.41) FAAHNAMPTTDO2
SCHEMBL5462184 0.83 TDO2 (0.51) FAAHTDO2
SCHEMBL22825608 0.81 CHRNB2 (0.49) FAAHKCNH2
SCHEMBL29517983 0.81 CHRNB2 (0.49) FAAHKCNH2
SCHEMBL28671509 0.81 CHRNB2 (0.49) FAAHKCNH2
SCHEMBL16839464 0.79 TDO2 (0.44) LOXLOXL2PDGFRBPDGFRAACACB
SCHEMBL15147591 0.79 PDGFRB (0.44) LOXLOXL2PDGFRBPDGFRAACACB
SCHEMBL16839481 0.79 FPR2 (0.46) LOXLOXL2PDGFRBPDGFRAACACB

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
CN-106863575-B A kind of molding equipment and its working method for air entrained concrete production 徐州工程学院 2018-12-21 CN claimed
CN-106863575-B A kind of molding equipment and its working method for air entrained concrete production 徐州工程学院 2018-12-21 CN disclosed
EP-2997024-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 EP disclosed
EP-2493856-B1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN LA ROCHE (CH) 2016-04-27 EP disclosed
US-9278954-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 US disclosed
US-9278954-B2 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-08 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
WO-2014184104-A1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 WO disclosed
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2493856-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. Hoffmann-La Roche AG (CH) 2012-09-05 EP disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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 (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-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 LOX 4526/4885LOXL2 4332/4885FAAH 3207/4885
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 LOX 4526/4885LOXL2 4332/4885FAAH 3207/4885
US-20140343083-A1 Pyrrolidine derivatives, pharmaceutical compositions and uses thereof ACACB, PC, ACACA LOX 1445/4885LOXL2 1910/4885FAAH 996/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 LOX 2352/4885LOXL2 3006/4885FAAH 506/4885

“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.