SCHEMBL2910440

SCHEMBL2910440

COc1cc2cc(CCCN3CCCN(CCCc4ccc5c(OC)c(OC)c(OC)cc5c4)CC3)ccc2c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
EBP Q15125 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
EBPL Q9BY08 1/20 0.46
SLC29A1 Q99808 4/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ABCC4 O15439 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
SCN1A P35498 1/20 0.46

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
SCHEMBL2910499 0.96 SIGMAR1 (0.53) SIGMAR1EBPTMEM97EBPLABCB1
SCHEMBL2905986 0.93 HRH3 (0.47) SIGMAR1EBPTMEM97EBPLHRH3
SCHEMBL2908062 0.90 SIGMAR1 (0.50) SIGMAR1EBPTMEM97EBPLSLC29A1
SCHEMBL2908950 0.89 SIGMAR1 (0.49) SIGMAR1EBPTMEM97EBPLKCNH2
SCHEMBL2905210 0.85 KDM4E (0.54) MEN1KMT2A
SCHEMBL2906038 0.82 HRH3 (0.47) SIGMAR1EBPTMEM97EBPLHRH3
SCHEMBL2907730 0.80 KDM4E (0.50) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL14375340 0.80 KDM4E (0.60) SIGMAR1EBPTMEM97EBPLSLC29A1
SCHEMBL4774671 0.80 TGFBR1 (0.41) SIGMAR1EBPTMEM97SMN1; SMN2KCNH2
SCHEMBL2911162 0.78 SIGMAR1 (0.49) SIGMAR1EBPTMEM97EBPLKCNH2

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 SIGMAR1 1444/4885EBP 594/4885TMEM97 3318/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 SIGMAR1 1444/4885EBP 594/4885TMEM97 3318/4885

“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.