SCHEMBL4117342

SCHEMBL4117342

COc1cc(-c2cc(CN3CCC(=O)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.45
HCRTR2 O43614 5/20 0.45
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
CHEK1 O14757 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
TYRO3 Q06418 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
POLB P06746 1/20 0.43
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42

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
Ethylene SCHEMBL4115800 0.98 HCRTR1 (0.44) HCRTR1HCRTR2PDE4DKDM4EMEN1
SCHEMBL4763764 0.90 TGFBR1 (0.49) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL4122785 0.90 HCRTR1 (0.42) HCRTR1HCRTR2PDE4DMEN1KMT2A
SCHEMBL4122248 0.90 PDE4D (0.45) HCRTR1HCRTR2PDE4DKDM4EMEN1
Ethylene SCHEMBL4111191 0.88 HCRTR1 (0.41) HCRTR1HCRTR2PDE4DMEN1KMT2A
Ethylene SCHEMBL4120382 0.88 PDE4D (0.43) HCRTR1HCRTR2PDE4DKDM4EMEN1
SCHEMBL27598696 0.88 PDE4D (0.43) HCRTR1HCRTR2PDE4DMEN1KMT2A
SCHEMBL4763891 0.87 KDM4E (0.53) KDM4EMEN1ALDH1A1KMT2ATDP1
SCHEMBL4763699 0.86 TGFBR1 (0.51) KDM4EMEN1ALDH1A1KMT2ATDP1
Hydrochloric Acid SCHEMBL6167681 0.86 POLB (0.53) KDM4EMEN1ALDH1A1KMT2ATDP1

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 14 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
US-6498169-B1 CELL ADHESION AND INFILTRATION INHIBITORS; ANTIASTHMATICS, ANTIALLERGENS, ANTIRHEUMATICS, ANTIARTERIOSCLEROTICS, ANTIINFLAMMATORIES AND ANTI SJOGREN'S SYNDROME AGENTS KOWA CO., LTD. (JP) 2002-12-24 US disclosed
US-6395753-B1 ANTIHISTAMINES, ANTIALLERGENS, ANTIARTHRITIC AGENTS KOWA CO., LTD. (JP) 2002-05-28 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-20050176764-A1 Medicine for treating cancer HDAC4, HDAC3, NR4A3 HCRTR1 235/4885HCRTR2 342/4885PDE4D 3856/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 HCRTR1 318/4885HCRTR2 574/4885PDE4D 3940/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 HCRTR1 318/4885HCRTR2 574/4885PDE4D 3940/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 HCRTR1 365/4885HCRTR2 407/4885PDE4D 3578/4885

“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.