SCHEMBL443666

SCHEMBL443666

Cc1ccc(OC2CCCC[N]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
EGFR P00533 1/20 0.35
ACHE P22303 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MMP13 P45452 1/20 0.33
MAOB P27338 1/20 0.32
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
NPY4R P50391 1/20 0.32
NPY5R Q15761 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL3164208 0.86 CA12 (0.39) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL1828238 0.81 HRH1 (0.40) ALDH1A1LMNARAB9AEPHX1
SCHEMBL2097343 0.81 NPY1R (0.36) NPY1RNPY2RNPY4RNPY5R
SCHEMBL3168321 0.80 SLC6A2 (0.47) KDM4EACHEMEN1KMT2AGAA
SCHEMBL11070013 0.80 HRH1 (0.39) GAAALDH1A1LMNAHPGDNPC1
SCHEMBL2097268 0.76 MMP13 (0.33) MMP13EPHX1
SCHEMBL1830085 0.76 HRH1 (0.41) GAAALDH1A1RAB9A
SCHEMBL8171032 0.72 EGFR (0.49) KDM4EEGFRACHEMEN1KMT2A
SCHEMBL3300092 0.71 CHRNB2 (0.49) LMNA
SCHEMBL257928 0.71 EGFR (0.48) KDM4EEGFRACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & Cª S A (PT) 2015-07-16 US disclosed
EP-2882712-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & Cª S.A. (PT) 2015-06-17 EP disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
WO-2014017938-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2014-01-30 WO disclosed
EP-2606035-A1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & CA., S.A. (PT) 2013-06-26 EP disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 WO disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO 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 (5 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 KDM4E 667/4885EGFR 583/4885ACHE 535/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 KDM4E 1973/4885EGFR 2781/4885ACHE 479/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KDM4E 1982/4885EGFR 3504/4885ACHE 167/4885
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS REN, F12, HAT1 KDM4E 1424/4885EGFR 1346/4885ACHE 1554/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 KDM4E 1973/4885EGFR 2781/4885ACHE 479/4885

“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.