SCHEMBL4120409

SCHEMBL4120409

CCOc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
MAPT P10636 3/20 0.72
NPC1 O15118 1/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
RAB9A P51151 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
GPR119 Q8TDV5 6/20 0.58
LMNA P02545 1/20 0.58
MMP13 P45452 2/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPN6 P29350 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52

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
SCHEMBL4108781 0.91 ALDH1A1 (0.73) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4244456 0.88 ALDH1A1 (0.73) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4236526 0.88 ALDH1A1 (0.73) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL23742317 0.87 ALDH1A1 (0.71) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4240173 0.87 ALDH1A1 (0.75) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4109009 0.86 ALDH1A1 (1.00) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL7043443 0.85 ALDH1A1 (0.69) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL23742221 0.85 ALDH1A1 (0.67) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL23742255 0.85 ALDH1A1 (0.67) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL4247075 0.84 ALDH1A1 (0.78) ALDH1A1MAPTNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR KOWA CO., LTD. (JP) 2009-06-04 US 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 (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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 ALDH1A1 1788/4885MAPT 4753/4885NPC1 804/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 ALDH1A1 2626/4885MAPT 4880/4885NPC1 3842/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 ALDH1A1 2626/4885MAPT 4880/4885NPC1 3842/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 ALDH1A1 3386/4885MAPT 3570/4885NPC1 1367/4885

“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.