SCHEMBL4132596

SCHEMBL4132596

COc1cc(-c2cccc(CN(c3ccc(Br)cc3)C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.43
KDM1A O60341 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GPR119 Q8TDV5 5/20 0.41
USP30 Q70CQ3 1/20 0.41
SLC2A1 P11166 1/20 0.40
TGFBR1 P36897 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL4116242 0.92 GPR119 (0.49) CCR5KDM1AMEN1KMT2AGPR119
SCHEMBL4111226 0.92 KMT2A (0.47) KDM1AMEN1KMT2AGPR119USP30
SCHEMBL4116057 0.92 USP30 (0.46) KDM1AMEN1KMT2AGPR119USP30
SCHEMBL4109003 0.92 MEN1 (0.50) KDM1AMEN1KMT2AGPR119USP30
SCHEMBL4111166 0.92 MEN1 (0.50) KDM1AMEN1KMT2AGPR119USP30
SCHEMBL4116869 0.91 TGFBR1 (0.44) CCR5KDM1AMEN1KMT2AGPR119
SCHEMBL4116346 0.90 GPR119 (0.44) KDM1AMEN1KMT2AGPR119USP30
SCHEMBL4116013 0.89 GPR119 (0.51) KDM1AMEN1KMT2AGPR119USP30
SCHEMBL4120248 0.89 CCR5 (0.43) CCR5KDM1AMEN1KMT2AGPR119
SCHEMBL4126330 0.89 GPR119 (0.50) CCR5KDM1AMEN1KMT2AGPR119

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-8883441-B2 Method for detecting and counting micro-organisms in a sample METIS BIOTECHNOLOGIES (FR) 2014-11-11 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-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
US-20050202518-A1 Using magnetic beads comprising immobilized antibodies as probes which screen and identify bacteria; flow cytometry METIS BIOTECHNOLOGIES (FR) 2005-09-15 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

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 CCR5 1176/4885KDM1A 869/4885MEN1 4131/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 CCR5 1035/4885KDM1A 2622/4885MEN1 4312/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 CCR5 1035/4885KDM1A 2622/4885MEN1 4312/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 CCR5 95/4885KDM1A 3018/4885MEN1 3648/4885

“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.