SCHEMBL4122454

SCHEMBL4122454

Fc1cccc(-c2cc(CCl)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP17A1 P05093 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP11B2 P19099 1/20 0.46
KMO O15229 2/20 0.46
GRM5 P41594 2/20 0.43
MAPKAPK2 P49137 3/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
IDO1 P14902 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP4K4 O95819 3/20 0.40
PIM1 P11309 2/20 0.40
HPGDS O60760 1/20 0.39
CDC7 O00311 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
SCHEMBL4108983 0.85 LOXL2 (0.38) CYP11B1CYP17A1CYP3A4CYP11B2GRM5
SCHEMBL4117407 0.81 LOXL2 (0.43) CYP11B1CYP11B2MAPKAPK2LOXL2KDM4E
SCHEMBL4116786 0.81 ASIC3 (0.53) CYP11B1CYP11B2LOXL2KDM4EMEN1
SCHEMBL25118560 0.81 IDO1 (0.55) CYP11B1CYP17A1CYP3A4CYP11B2KMO
SCHEMBL28130409 0.79 MAPKAPK2 (0.55) CYP11B1CYP17A1CYP3A4CYP11B2KMO
SCHEMBL4120500 0.79 CYP11B1 (0.46) CYP11B1CYP17A1CYP3A4CYP11B2KMO
SCHEMBL4775515 0.78 ASIC3 (0.50) CYP11B1CYP11B2LOXL2KDM4EPIM1
SCHEMBL25492416 0.78 KMO (0.49) KMOGRM5MAPKAPK2BCHEACHE
SCHEMBL4120443 0.77 CLK4 (0.51) CYP3A4GRM5MAPKAPK2KDM4EMEN1
SCHEMBL7505474 0.77 TAAR1 (0.55) CYP11B1CYP17A1CYP3A4CYP11B2IDO1

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
CN-100406441-C Cyclic amine compounds KOWA CO (JP) 2008-07-30 CN 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
CN-1604893-A Cyclic amine compound KOWA CO (JP) 2005-04-06 CN 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 CYP11B1 2214/4885CYP17A1 1529/4885CYP3A4 1615/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 CYP11B1 1682/4885CYP17A1 1959/4885CYP3A4 3032/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 CYP11B1 1682/4885CYP17A1 1959/4885CYP3A4 3032/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 CYP11B1 576/4885CYP17A1 1233/4885CYP3A4 798/4885

“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.