SCHEMBL4128874

SCHEMBL4128874

COc1ccccc1-c1cc(CCl)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.48
CYP2C19 P33261 9/20 0.48
CYP2D6 P10635 8/20 0.48
ALDH1A1 P00352 7/20 0.48
CLK4 Q9HAZ1 7/20 0.48
HSD17B10 Q99714 6/20 0.48
TSHR P16473 6/20 0.48
MAPK1 P28482 4/20 0.48
TP53 P04637 3/20 0.48
CYP2C9 P11712 2/20 0.48
HIF1A Q16665 2/20 0.48
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 1/20 0.48
KDM1A O60341 2/20 0.47
HDAC1 Q13547 2/20 0.47
CYP3A4 P08684 6/20 0.45
KDM4E B2RXH2 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
USP2 O75604 3/20 0.45
CHRNA7 P36544 1/20 0.45

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
SCHEMBL4765389 0.85 FYN (0.51) CYP1A2CYP2C19CYP2D6ALDH1A1CLK4
SCHEMBL7995059 0.78 ADRA1D (0.56) CYP1A2CYP2C19CYP2D6ALDH1A1CLK4
SCHEMBL22320478 0.77 KDM1A (0.42) CYP1A2CYP2C19CYP2D6ALDH1A1CLK4
SCHEMBL28452211 0.76 HSP90AA1 (0.53) CYP1A2CYP2C19CYP2D6ALDH1A1CLK4
SCHEMBL4116032 0.76 NPC1 (0.47) CLK4TSHRMAPK1CYP3A4CHRNA7
SCHEMBL4126068 0.76 DYRK1A (0.48) ALDH1A1CLK4HSD17B10TSHRMAPK1
SCHEMBL4114573 0.76 DYRK1A (0.39) CLK4KDM1AHDAC1TTR
SCHEMBL4120272 0.76 GAA (0.46) ALDH1A1HSP90AA1HSP90AB1KDM4E
SCHEMBL29558394 0.74 CCR1 (0.42) CYP1A2TSHRHIF1AKDM4ELMNA
SCHEMBL1681797 0.74 CCR1 (0.42) CYP1A2TSHRHIF1AKDM4ELMNA

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 20 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-100491352-C Asymmetrical cyclic diamine compound KOWA CO (JP) 2009-05-27 CN disclosed
CN-100406441-C Cyclic amine compounds KOWA CO (JP) 2008-07-30 CN disclosed
EP-1400513-B1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND KOWA CO (JP) 2008-01-09 EP 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
CN-1520402-A Unsymmetrical cyclic diamine compound ������������ʽ���� 2004-08-11 CN disclosed
EP-1422219-A1 CYCLIC AMINE COMPOUND Kowa Co., Ltd. (JP) 2004-05-26 EP disclosed
EP-1400513-A1 UNSYMMETRICAL CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2004-03-24 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-6552188-B2 Inhibit cell adhesion and cell infiltration; useful treating asthma, allergies, rheumatic diseases, arteriosclerosis, and inflammation; 2-(3,4,5-trimethoxyphenyl),4-((4-substituted piperazin-1-yl)methyl)pyridine compounds KOWA CO., LTD. (JP) 2003-04-22 US disclosed
US-20030022887-A1 Unsymmetrical cyclic diamine compound KOWA CO., LTD. (JP) 2003-01-30 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 (5 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 CYP1A2 3704/4885CYP2C19 4130/4885CYP2D6 3434/4885
US-20060040986-A1 Erythropoietin production accelerator EPOR, GHRHR, ARL1 CYP1A2 4014/4885CYP2C19 4435/4885CYP2D6 4083/4885
US-20030022887-A1 Unsymmetrical cyclic diamine compound H1-0, DDAH1, AOC1 CYP1A2 1383/4885CYP2C19 2370/4885CYP2D6 1040/4885
US-20090143430-A1 ERYTHROPOIETIN PRODUCTION ACCELERATOR EPOR, GHRHR, ARL1 CYP1A2 4014/4885CYP2C19 4435/4885CYP2D6 4083/4885
US-20040010147-A1 Cyclic amine compounds and pharmaceutical composition containing the same HRH3, HRH4, CNKSR1 CYP1A2 1827/4885CYP2C19 1897/4885CYP2D6 1731/4885

“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.