SCHEMBL4122440

SCHEMBL4122440

COc1cc(-c2cc(COC3CCNCC3)ccn2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.43
ACVR1 Q04771 4/20 0.43
KCNH2 Q12809 4/20 0.43
ACVR1B P36896 2/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
HTR4 Q13639 1/20 0.43
MAP3K11 Q16584 1/20 0.37
GAA P10253 1/20 0.36
BRD4 O60885 3/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAOB P27338 2/20 0.36
FYN P06241 1/20 0.35

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
SCHEMBL13800061 0.84 SIGMAR1 (0.43) HCRTR1HCRTR2
SCHEMBL6207985 0.83 ALDH1A1 (0.41) TGFBR1ACVR1KCNH2ACVR1BMAP3K11
Hydrochloric Acid SCHEMBL4122817 0.83 SIGMAR1 (0.43) HCRTR1HCRTR2
SCHEMBL4127097 0.80 LMNA (0.40) TGFBR1ACVR1KCNH2ACVR1BSLC6A2
SCHEMBL11002183 0.80 HTR2C (0.49) TGFBR1ACVR1KCNH2ACVR1BSLC6A2
SCHEMBL4117314 0.79 KCNH2 (0.39) TGFBR1ACVR1KCNH2ACVR1BHTR7
SCHEMBL4108306 0.78 TGFBR1 (0.38) TGFBR1ACVR1KCNH2ACVR1BMAP3K11
SCHEMBL4109512 0.78 SLC6A2 (0.41) TGFBR1ACVR1KCNH2ACVR1BSLC6A2
SCHEMBL16775578 0.78 SLC6A2 (0.51) KCNH2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6168415 0.78 ALDH1A1 (0.55) KCNH2

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 864/4885KCNH2 1925/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 TGFBR1 2250/4885ACVR1 41/4885KCNH2 3196/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 TGFBR1 2250/4885ACVR1 41/4885KCNH2 3196/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 TGFBR1 477/4885ACVR1 435/4885KCNH2 1671/4885

“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.