SCHEMBL2902844

SCHEMBL2902844

COc1cc2nc(CCCBr)sc2c(OC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ECE1 P42892 1/20 0.32
CA9 Q16790 1/20 0.32
SLC10A2 Q12908 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
BRD4 O60885 1/20 0.31
PSMB5 P28074 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2902383 0.86 TNKS2 (0.37) DRD2DRD4DRD3MAPTECE1
SCHEMBL27518837 0.83 CA9 (0.33) MAPTSMN1; SMN2CA9SLC10A2PDE3B
SCHEMBL2903341 0.82 DRD2 (0.48) DRD2DRD4DRD3SMN1; SMN2HTR2A
SCHEMBL2905414 0.80 PDE4A (0.36) MAPTCA9SLC10A2PDE3BPDE3A
SCHEMBL2905107 0.80 CA9 (0.35) MAPTNPC1PKMRAB9ASMN1; SMN2
SCHEMBL2903281 0.79 DRD3 (0.46) DRD2DRD4DRD3SMN1; SMN2HTR2A
SCHEMBL2910400 0.78 HDAC6 (0.50) MAPTPKMSMN1; SMN2MEN1ALDH1A1
SCHEMBL2903681 0.75 KDM4E (0.43) SMN1; SMN2MEN1ALDH1A1POLBKMT2A
SCHEMBL2902306 0.75 ALDH1A1 (0.44) MAPTMEN1ALDH1A1POLBKMT2A
SCHEMBL2910348 0.72 KDM4E (0.45) SMN1; SMN2HTR2AHTR2BMEN1ALDH1A1

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 8 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
CN-1281585-C Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2006-10-25 CN disclosed
CN-1599717-A Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2005-03-23 CN 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 528/4885DRD4 350/4885DRD3 339/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 DRD2 528/4885DRD4 350/4885DRD3 339/4885

“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.