SCHEMBL4127097

SCHEMBL4127097

COc1cc(-c2cc(CN(C)C3CCNCC3)ccn2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TGFBR1 P36897 2/20 0.39
ACVR1 Q04771 2/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 3/20 0.39
ACVR1B P36896 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAP3K11 Q16584 1/20 0.36
CHRM4 P08173 1/20 0.36
ADRA2C P18825 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GAA P10253 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
SCHEMBL4109512 0.87 SLC6A2 (0.41) TGFBR1ACVR1SLC6A2SLC6A4SLC6A3
SCHEMBL4108306 0.85 TGFBR1 (0.38) TGFBR1ACVR1ACVR1BKCNH2MAP3K11
SCHEMBL13800754 0.85 SLC6A2 (0.43) TGFBR1ACVR1SLC6A2SLC6A4SLC6A3
SCHEMBL4110325 0.84 BACE1 (0.41) TGFBR1ACVR1ALDH1A1HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4116353 0.84 SLC6A2 (0.43) TGFBR1ACVR1SLC6A2SLC6A4SLC6A3
SCHEMBL13800331 0.84 SLC6A2 (0.45) TGFBR1ACVR1SLC6A2SLC6A4SLC6A3
SCHEMBL13800466 0.84 SLC6A2 (0.43) TGFBR1ACVR1SLC6A2SLC6A4SLC6A3
SCHEMBL6173934 0.84 SLC6A2 (0.41) TGFBR1ACVR1SLC6A2SLC6A4SLC6A3
SCHEMBL13800574 0.84 SLC6A2 (0.41) TGFBR1ACVR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4115839 0.83 BACE1 (0.40) TGFBR1ACVR1ALDH1A1HCRTR1HCRTR2

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-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

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 LMNA 2246/4885TGFBR1 1568/4885ACVR1 864/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 LMNA 1408/4885TGFBR1 2250/4885ACVR1 41/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 LMNA 1408/4885TGFBR1 2250/4885ACVR1 41/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 LMNA 2084/4885TGFBR1 477/4885ACVR1 435/4885

“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.