SCHEMBL4122518

SCHEMBL4122518

COc1cccc(-c2cc(CN3CCC(N(Cc4cncc(-c5cc(OC)c(OC)c(OC)c5)c4)c4ccc(SC)cc4)CC3)ccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 2/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
HTR7 P34969 1/20 0.35
CYP3A4 P08684 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CCR5 P51681 2/20 0.35
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
FYN P06241 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL13800898 0.94 DRD2 (0.40) WNK1DRD2DRD4DRD3HTR7
Hydrochloric Acid SCHEMBL4132310 0.94 DRD2 (0.40) WNK1DRD2DRD4DRD3HTR7
SCHEMBL4276955 0.94 JAK2 (0.36) DRD2DRD4DRD3HTR7CYP3A4
Hydrochloric Acid SCHEMBL7217516 0.93 JAK2 (0.36) DRD2DRD4DRD3HTR7CYP3A4
SCHEMBL13800902 0.92 CNR1 (0.39) WNK1DRD2DRD4DRD3HTR7
Hydrochloric Acid SCHEMBL4121884 0.91 CNR1 (0.38) WNK1DRD2DRD4DRD3HTR7
SCHEMBL13800549 0.91 TGFBR1 (0.37) HTR7HCRTR1HCRTR2JAK2JAK1
Hydrochloric Acid SCHEMBL7218547 0.90 TGFBR1 (0.37) HTR7CCR5HCRTR1HCRTR2JAK2
SCHEMBL3484870 0.89 CYP3A4 (0.40) DRD2DRD4DRD3HTR7CYP3A4
SCHEMBL13800903 0.89 CNR1 (0.41) WNK1DRD2DRD4DRD3HTR7

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 11 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

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 WNK1 515/4885DRD2 2897/4885DRD4 1079/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 WNK1 975/4885DRD2 2405/4885DRD4 1352/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 WNK1 975/4885DRD2 2405/4885DRD4 1352/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 WNK1 226/4885DRD2 1366/4885DRD4 775/4885

“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.