SCHEMBL4114136

SCHEMBL4114136

COc1cc(-c2cc(CN3CCC(C(N)=O)CC3)ccn2)cc(OC)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ACHE P22303 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NEK2 P51955 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ICAM1 P05362 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 1/20 0.43
MAP4K4 O95819 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 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
SCHEMBL4121682 0.91 NEK2 (0.54) NPC1RAB9AALDH1A1KDM4ENEK2
SCHEMBL13800105 0.86 ACHE (0.42) ACHE
SCHEMBL4120391 0.82 MEN1 (0.43) ACHE
SCHEMBL4114501 0.82 NEK2 (0.52) NPC1RAB9AALDH1A1KDM4ENEK2
SCHEMBL4109775 0.81 SSTR5 (0.47) ACHEALDH1A1KDM4E
SCHEMBL4122248 0.81 PDE4D (0.45) ALDH1A1KDM4EHRH3
SCHEMBL13800109 0.80 HRH3 (0.42) ACHEALDH1A1LMNASMN1; SMN2HRH3
Ethylene SCHEMBL4120382 0.79 PDE4D (0.43) ALDH1A1KDM4EHRH3
Hydrochloric Acid SCHEMBL4116101 0.79 HRH3 (0.41) ACHEALDH1A1LMNASMN1; SMN2HRH3
SCHEMBL4108787 0.78 NSD2 (0.49) ACHEHRH3

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 15 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
CN-100406441-C Cyclic amine compounds KOWA CO (JP) 2008-07-30 CN 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
CN-1604893-A Cyclic amine compound KOWA CO (JP) 2005-04-06 CN 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 NPC1 804/4885RAB9A 4393/4885ACHE 4596/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 NPC1 3842/4885RAB9A 4136/4885ACHE 4797/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 NPC1 3842/4885RAB9A 4136/4885ACHE 4797/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 NPC1 1367/4885RAB9A 2305/4885ACHE 2123/4885

“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.