SCHEMBL1390641

SCHEMBL1390641

COCOc1cc(CCc2ccc3c(c2)CCO3)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.46
CXCR3 P49682 4/20 0.44
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNA4 P43681 1/20 0.40
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRM5 P08912 1/20 0.37
SLC5A2 P31639 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL1391109 0.82 TDP1 (0.57) ERN1KMT2ATDP1L3MBTL1
SCHEMBL1390824 0.81 CXCR3 (0.40) CXCR3CHRM1CHRM2CHRM3KMT2A
SCHEMBL8323266 0.80 ERN1 (0.44) ERN1CXCR3CHRM1CHRM2CHRNB2
SCHEMBL1390899 0.78 RARB (0.37) KMT2ATDP1L3MBTL1
SCHEMBL1391559 0.77 ERN1 (0.58) ERN1CHRM1CHRM2CHRNB2CHRM3
SCHEMBL465064 0.76 ALDH1A1 (0.40) ERN1KMT2AL3MBTL1RAB9A
SCHEMBL1446176 0.74 PPARG (0.41) L3MBTL1HTR1A
SCHEMBL1391164 0.73 ERN1 (0.44) ERN1L3MBTL1SLC5A2
SCHEMBL8132586 0.72 LMNA (0.55) ERN1KMT2ATDP1L3MBTL1
SCHEMBL1391014 0.71 SMN1; SMN2 (0.42) ERN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO 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 (1 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ERN1 3393/4885CXCR3 3131/4885CHRM1 2336/4885

“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.