SCHEMBL4127212

SCHEMBL4127212

CCOC(=O)NC1CCN(Cc2ccnc(-c3cc(OC)c(OC)c(OC)c3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
MCHR1 Q99705 1/20 0.50
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DRD3 P35462 2/20 0.45
SLC6A12 P48065 1/20 0.44
SSTR5 P35346 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL4109775 0.92 SSTR5 (0.47) SIGMAR1MCHR1KDM4EALDH1A1DRD3
SCHEMBL4279908 0.87 SSTR5 (0.54) MCHR1SSTR5
SCHEMBL13800070 0.86 MCHR1 (0.60) SIGMAR1MCHR1DRD3SLC6A12SSTR5
SCHEMBL4122610 0.86 KDM4E (0.61) KDM4EALDH1A1
SCHEMBL4114243 0.83 BACE1 (0.50) SIGMAR1MCHR1UBE2MDCUN1D1KDM4E
SCHEMBL13800235 0.83 MCHR1 (0.59) SIGMAR1MCHR1UBE2MDCUN1D1ALDH1A1
SCHEMBL13813528 0.83 BACE1 (0.47) SIGMAR1MCHR1UBE2MDCUN1D1DRD3
Fumaric Acid SCHEMBL6321872 0.82 MCHR1 (0.55) SIGMAR1MCHR1DRD3SLC6A12SSTR5
Maleic Acid SCHEMBL6169757 0.82 MCHR1 (0.55) SIGMAR1MCHR1DRD3SLC6A12SSTR5
SCHEMBL4114501 0.82 NEK2 (0.52) SIGMAR1MCHR1KDM4EALDH1A1

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 13 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-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 SIGMAR1 546/4885MCHR1 957/4885UBE2M 2886/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 SIGMAR1 561/4885MCHR1 175/4885UBE2M 4480/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 SIGMAR1 561/4885MCHR1 175/4885UBE2M 4480/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 SIGMAR1 121/4885MCHR1 869/4885UBE2M 4274/4885

“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.