SCHEMBL1390808

SCHEMBL1390808

CCOc1ccc(CCc2ccc3cc(C(C)Nc4ccon4)oc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
PSMB5 P28074 1/20 0.41
ACACB O00763 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MAPT P10636 6/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CYP1A2 P05177 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL1391243 0.88 ACACB (0.39) PSMB5ACACBCYP1A2
SCHEMBL15157697 0.77 MAPT (0.46) RAB9AACACBTAS1R3TAS1R1TAS1R2
SCHEMBL1390529 0.77 ACACB (0.50) RAB9AACACBMAPTHTTNPC1
SCHEMBL1390746 0.77 CA9 (0.43) RAB9AACACBTAS1R3TAS1R1TAS1R2
SCHEMBL1391268 0.74 ACACB (0.39) ACACBCYP1A2KDM4E
SCHEMBL15159378 0.72 GLA (0.39) RAB9AACACBTAS1R3TAS1R1TAS1R2
SCHEMBL1391097 0.71 MAOB (0.37) ACACB
SCHEMBL1391395 0.70 ACACB (0.39) ACACB
SCHEMBL1392029 0.69 SMN1; SMN2 (0.41) RAB9AACACBTAS1R3TAS1R1TAS1R2
SCHEMBL2310976 0.69 ACACB (0.42) ACACB

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 RAB9A 3698/4885PSMB5 2940/4885ACACB 3/4885

“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.