SCHEMBL2903341

SCHEMBL2903341

COc1cc2nc(CCCN3CCN(CCCc4nc5cc(OC)c(OC)c(OC)c5s4)CC3)sc2c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.48
DRD3 P35462 11/20 0.48
DRD4 P21917 9/20 0.48
HTR2B P41595 4/20 0.41
HTR1A P08908 4/20 0.41
HTR7 P34969 4/20 0.41
HTR2A P28223 4/20 0.41
HRH1 P35367 3/20 0.41
HTR2C P28335 3/20 0.41
SLC29A1 Q99808 4/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
SLC6A2 P23975 2/20 0.40
ADRA1A P35348 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
SLC6A4 P31645 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2903281 0.96 DRD3 (0.46) DRD2DRD3DRD4HTR2BHTR1A
SCHEMBL2903681 0.84 KDM4E (0.43) SLC6A4MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL2902844 0.82 DRD2 (0.33) DRD2DRD3DRD4HTR2BHTR2A
SCHEMBL2902383 0.82 TNKS2 (0.37) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL2910348 0.81 KDM4E (0.45) HTR2BHTR2ASLC29A1SLC6A4MEN1
SCHEMBL27518837 0.79 CA9 (0.33) HTR2BHTR2AHTR2CMEN1KMT2A
SCHEMBL2905107 0.76 CA9 (0.35) MEN1LMNAKMT2ASMN1; SMN2MAPK1
SCHEMBL2905414 0.76 PDE4A (0.36) MEN1KMT2ACYP3A4
SCHEMBL2910400 0.74 HDAC6 (0.50) MEN1LMNAKMT2ASMN1; SMN2MAPK1
SCHEMBL2902306 0.71 ALDH1A1 (0.44) MEN1KMT2ATSHRMAPK1

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 DRD2 528/4885DRD3 339/4885DRD4 350/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 DRD2 528/4885DRD3 339/4885DRD4 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.