SCHEMBL4121682

SCHEMBL4121682

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 3/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PLK1 P53350 1/20 0.45
NEK1 Q96PY6 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ICAM1 P05362 1/20 0.44
MCHR1 Q99705 1/20 0.43
LTA4H P09960 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
SCHEMBL4114136 0.91 NPC1 (0.53) NEK2NPC1RAB9AKDM4EPDCD1
SCHEMBL4114501 0.91 NEK2 (0.52) NEK2NPC1RAB9AKDM4EPDCD1
SCHEMBL4122610 0.87 KDM4E (0.61) KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL13800060 0.86 TP53 (0.48) KMT2A
SCHEMBL4108356 0.86 BACE1 (0.44) KDM4EMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL13800229 0.85 KDM4E (0.46) KDM4EMEN1KMT2ASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL4109943 0.85 BACE1 (0.43) KDM4EMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL4763764 0.84 TGFBR1 (0.49) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL13813581 0.84 BACE1 (0.43) KDM4EMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL7160532 0.84 KDM4E (0.51) NPC1RAB9AKDM4EMEN1KMT2A

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 NEK2 205/4885NPC1 804/4885RAB9A 4393/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 NEK2 605/4885NPC1 3842/4885RAB9A 4136/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 NEK2 605/4885NPC1 3842/4885RAB9A 4136/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 NEK2 692/4885NPC1 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.