SCHEMBL4121708

SCHEMBL4121708

COc1cc(-c2cc(CN(c3ccc(SC)cc3)C3CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.42
KDM1A O60341 2/20 0.42
SLC2A1 P11166 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CFTR P13569 1/20 0.38
HDAC1 Q13547 1/20 0.37

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
SCHEMBL4109826 0.91 SLC2A1 (0.49) GPR119KDM1ASLC2A1MEN1KMT2A
SCHEMBL4116600 0.91 MEN1 (0.44) GPR119KDM1ASLC2A1MEN1KMT2A
SCHEMBL4122492 0.91 MEN1 (0.47) GPR119KDM1ASLC2A1MEN1KMT2A
SCHEMBL4118634 0.91 MEN1 (0.47) GPR119KDM1ASLC2A1MEN1KMT2A
SCHEMBL4114497 0.91 SLC2A1 (0.42) GPR119KDM1ASLC2A1MEN1KMT2A
SCHEMBL4111624 0.91 MEN1 (0.45) GPR119KDM1ASLC2A1MEN1KMT2A
SCHEMBL4116673 0.90 SLC2A1 (0.43) GPR119KDM1ASLC2A1MEN1KMT2A
SCHEMBL4111630 0.89 GPR119 (0.41) GPR119SLC2A1MEN1KMT2AHDAC1
SCHEMBL4122223 0.89 GPR119 (0.49) GPR119KDM1ASLC2A1MEN1KMT2A
SCHEMBL4122503 0.88 GPR119 (0.47) GPR119KDM1ASLC2A1MEN1KMT2A

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
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 (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 GPR119 524/4885KDM1A 869/4885SLC2A1 1517/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 GPR119 66/4885KDM1A 2622/4885SLC2A1 3455/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 GPR119 66/4885KDM1A 2622/4885SLC2A1 3455/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 GPR119 676/4885KDM1A 3018/4885SLC2A1 2240/4885

“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.