SCHEMBL4110325

SCHEMBL4110325

COc1cc(-c2cc(CN3CCC(N(C)Cc4ccnc(-c5cc(OC)c(OC)c(OC)c5)c4)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.41
ACHE P22303 2/20 0.41
BCHE P06276 2/20 0.41
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
HTR7 P34969 1/20 0.38

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
Hydrochloric Acid SCHEMBL4115839 0.99 BACE1 (0.40) BACE1ACHEBCHETGFBR1ACVR1
SCHEMBL13800065 0.94 ACHE (0.40) BACE1ACHEBCHETGFBR1ACVR1
SCHEMBL6328221 0.94 HTR7 (0.46) BACE1ACHEBCHEHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL6406007 0.93 ACHE (0.40) BACE1ACHEBCHETGFBR1ACVR1
Hydrochloric Acid SCHEMBL4116609 0.93 ACHE (0.40) BACE1ACHEBCHETGFBR1ACVR1
SCHEMBL13800109 0.91 HRH3 (0.42) ACHEHRH3HCRTR1HCRTR2MEN1
SCHEMBL13800257 0.91 GAA (0.41) HRH3HCRTR1HCRTR2MEN1KMT2A
SCHEMBL13800099 0.91 TGFBR1 (0.40) BACE1ACHEBCHETGFBR1ACVR1
Hydrochloric Acid SCHEMBL4116101 0.90 HRH3 (0.41) ACHEBCHEHRH3HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4120393 0.90 GAA (0.40) HRH3HCRTR1HCRTR2MEN1KMT2A

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 18 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 claimed
US-20060040986-A1 Erythropoietin production accelerator KOWA CO., LTD. (JP) 2006-02-23 US claimed
EP-1568691-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR Kowa Co., Ltd. (JP) 2005-08-31 EP claimed
US-20050176764-A1 Medicine for treating cancer KOWA CO., LTD (JP) 2005-08-11 US claimed
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-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KOWA CO., LTD. (JP) 2009-02-12 US disclosed
US-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KOWA CO., LTD. (JP) 2009-02-12 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 (5 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 BACE1 4421/4885ACHE 4596/4885BCHE 4168/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 BACE1 4563/4885ACHE 4797/4885BCHE 4545/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 BACE1 4563/4885ACHE 4797/4885BCHE 4545/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 BACE1 2231/4885ACHE 2123/4885BCHE 3252/4885
US-20090042901-A1 AGENT FOR PREVENTION/THERAPY OF DISEASE CAUSED BY KERATINOCYTE GROWTH KRT18, FGF1, AREG BACE1 3364/4885ACHE 4679/4885BCHE 3835/4885

“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.