SCHEMBL2903281

SCHEMBL2903281

COc1cc2nc(CCCN3CCCN(CCCc4nc5cc(OC)c(OC)c(OC)c5s4)CC3)sc2c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.46
DRD2 P14416 6/20 0.46
DRD4 P21917 4/20 0.46
SLC29A1 Q99808 5/20 0.44
HTR2A P28223 4/20 0.44
SLC6A4 P31645 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTR2B P41595 2/20 0.44
ABCC4 O15439 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CHRM3 P20309 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
SCN1A P35498 1/20 0.44

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
SCHEMBL2903341 0.96 DRD2 (0.48) DRD3DRD2DRD4SLC29A1HTR2A
SCHEMBL2910348 0.85 KDM4E (0.45) SLC29A1HTR2ASLC6A4MEN1LMNA
SCHEMBL2903681 0.81 KDM4E (0.43) SLC6A4MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL2902383 0.79 TNKS2 (0.37) DRD3DRD2DRD4MEN1KMT2A
SCHEMBL2902844 0.79 DRD2 (0.33) DRD3DRD2DRD4HTR2AMEN1
SCHEMBL27518837 0.76 CA9 (0.33) HTR2AMEN1KMT2ASMN1; SMN2HTR2B
SCHEMBL2905414 0.73 PDE4A (0.36) MEN1KMT2ACYP3A4KDM4E
SCHEMBL2905107 0.73 CA9 (0.35) MEN1LMNAKMT2ASMN1; SMN2MAPK1
SCHEMBL14375340 0.73 KDM4E (0.60) SLC29A1HTR2ASLC6A4MEN1LMNA
SCHEMBL2910400 0.72 HDAC6 (0.50) MEN1LMNAKMT2ASMN1; SMN2MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 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 (2 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 DRD3 339/4885DRD2 528/4885DRD4 350/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 DRD3 339/4885DRD2 528/4885DRD4 350/4885

“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.