SCHEMBL3027345

SCHEMBL3027345

O=[C]CCCCCN1CCN(Cc2ccc3c(c2)OCCCO3)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.52
KDM1A O60341 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
CACNA1G O43497 2/20 0.44
FAAH O00519 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL3032170 0.81 TRPV1 (0.49) KDM1ASMN1; SMN2ALDH1A1
SCHEMBL3027344 0.79 CYP2D6 (0.34) CYP2D6KDM1ACACNA1GFAAHTSHR
SCHEMBL5546308 0.74 ALDH1A1 (0.53) KMT2AALDH1A1
SCHEMBL3026937 0.74 CCR3 (0.64)
SCHEMBL11518881 0.72 CYP2D6 (0.60) CYP2D6SMN1; SMN2KDM4EGAAPKM
SCHEMBL13574529 0.72 CYP2D6 (0.71) CYP2D6SMN1; SMN2KDM4EGAAPKM
SCHEMBL3026991 0.71 KDM4E (0.58) CYP2D6SMN1; SMN2KDM4EGAAPKM
SCHEMBL3032841 0.71 ADRA1D (0.40) CYP2D6KDM4EPKMALDH1A1
SCHEMBL5542406 0.71 SIGMAR1 (0.56) SMN1; SMN2PKM
SCHEMBL16695191 0.71 CYP2D6 (0.50) CYP2D6SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 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 (3 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-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 CYP2D6 3658/4885KDM1A 712/4885SMN1; SMN2 4812/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 CYP2D6 3521/4885KDM1A 653/4885SMN1; SMN2 4827/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CYP2D6 212/4885KDM1A 862/4885SMN1; SMN2 3224/4885

“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.