SCHEMBL1704497

SCHEMBL1704497

CC(C)(C)OC(=O)N1CCC(Nc2ccc(F)c(F)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MAPT P10636 1/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN6 P29350 1/20 0.54
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
GPR119 Q8TDV5 5/20 0.50
DPP4 P27487 1/20 0.50
F13A1 P00488 1/20 0.50
TGM2 P21980 1/20 0.50
TGM1 P22735 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL377565 0.90 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL377564 0.90 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL6154643 0.89 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL1704680 0.88 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL377801 0.87 ALDH1A1 (0.75) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL377914 0.85 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL2338130 0.85 ALDH1A1 (0.77) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL29992015 0.84 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL329831 0.84 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL329832 0.84 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTMAPK1

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-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 WO disclosed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP disclosed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US disclosed
US-6867221-B2 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2005-03-15 US disclosed
EP-1494670-A1 MEDICINE FOR TREATING CANCER Kowa Co., Ltd. (JP) 2005-01-12 EP disclosed
EP-1422219-A1 CYCLIC AMINE COMPOUND Kowa Co., Ltd. (JP) 2004-05-26 EP disclosed
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same KOWA CO., LTD. (JP) 2004-01-15 US disclosed
WO-2003086397-A1 MEDICINE FOR TREATING CANCER KOWA CO., LTD. (JP) 2003-10-23 WO disclosed
US-6605620-B1 Such as 4-(N-(4-Methoxyphenyl)-N-(3-(3,4,5-trimethoxy-phenyl)-benzoylamino)-1-((2 -(3,4,5-trimethoxyphenyl)pyridin-4-yl)-methyl)piperidine; treatment and prevention of cell adhesion or infiltration KOWA CO., LTD. (JP) 2003-08-12 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 (6 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 ALDH1A1 1788/4885NPC1 804/4885RAB9A 4393/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 ALDH1A1 2626/4885NPC1 3842/4885RAB9A 4136/4885
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 ALDH1A1 1817/4885NPC1 840/4885RAB9A 2456/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 ALDH1A1 1802/4885NPC1 615/4885RAB9A 1747/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 ALDH1A1 2626/4885NPC1 3842/4885RAB9A 4136/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 ALDH1A1 3386/4885NPC1 1367/4885RAB9A 2305/4885

“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.