SCHEMBL4108306

SCHEMBL4108306

COc1cc(-c2cc(CN(C)CC3CCNCC3)ccn2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.38
ACVR1 Q04771 2/20 0.38
MAP3K11 Q16584 2/20 0.37
ACVR1B P36896 1/20 0.37
KCNH2 Q12809 1/20 0.37
EP300 Q09472 1/20 0.36
GAA P10253 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
BRD4 O60885 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CCNT1 O60563 3/20 0.34
CDK9 P50750 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL4127097 0.85 LMNA (0.40) TGFBR1ACVR1MAP3K11ACVR1BKCNH2
SCHEMBL4116040 0.85 MAPT (0.43) TGFBR1ACVR1ALDH1A1CCNT1CDK9
SCHEMBL4109512 0.81 SLC6A2 (0.41) TGFBR1ACVR1MAP3K11ACVR1BKCNH2
Hydrochloric Acid SCHEMBL4116353 0.80 SLC6A2 (0.43) TGFBR1ACVR1CCNT1CDK9HCRTR1
Hydrochloric Acid SCHEMBL4109536 0.79 SLC6A2 (0.40) TGFBR1ACVR1ACVR1BKCNH2CCNT1
Hydrochloric Acid SCHEMBL4120281 0.79 SLC6A2 (0.40) TGFBR1ACVR1ACVR1BKCNH2GAA
Hydrochloric Acid SCHEMBL4122020 0.79 SLC6A2 (0.42) TGFBR1ACVR1ACVR1BKCNH2BRD4
Hydrochloric Acid SCHEMBL4127643 0.79 SLC6A2 (0.44) TGFBR1ACVR1MAP3K11ACVR1BKCNH2
SCHEMBL4121325 0.79 SLC2A1 (0.45) KDM4E
SCHEMBL13800754 0.79 SLC6A2 (0.43) TGFBR1ACVR1CCNT1CDK9HCRTR1

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 TGFBR1 1568/4885ACVR1 864/4885MAP3K11 4449/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 TGFBR1 2250/4885ACVR1 41/4885MAP3K11 3739/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 TGFBR1 2250/4885ACVR1 41/4885MAP3K11 3739/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 TGFBR1 477/4885ACVR1 435/4885MAP3K11 2324/4885

“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.