SCHEMBL1390658

SCHEMBL1390658

CC(=O)c1cc2ccc(CCc3ccc4c(c3)CCO4)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
ACACB O00763 1/20 0.41
CHRM5 P08912 5/20 0.41
CHRM1 P11229 5/20 0.41
CHRM4 P08173 4/20 0.41
CHRM3 P20309 3/20 0.41
CHRM2 P08172 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRA2A P08913 1/20 0.41
DRD2 P14416 1/20 0.41
KCNE1 P15382 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL1390800 0.81 ACACB (0.50) SMN1; SMN2MAPTTSHRHTTRAB9A
SCHEMBL1390919 0.81 TSHR (0.53) SMN1; SMN2MAPTTSHRHTTLMNA
SCHEMBL1391982 0.81 RAB9A (0.41) SMN1; SMN2MAPTTSHRHTTRAB9A
SCHEMBL1390821 0.81 RAB9A (0.41) SMN1; SMN2MAPTTSHRHTTRAB9A
SCHEMBL1382289 0.78 MTNR1A (0.53) MAPTHTTRAB9ANPC1POLB
SCHEMBL1390923 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MAPTTSHRHTTNAMPT
SCHEMBL1405119 0.76 RAB9A (0.50) SMN1; SMN2MAPTRAB9ANPC1POLB
SCHEMBL12433341 0.75 KDM4E (0.55) SMN1; SMN2MAPTTSHRHTTPOLB
SCHEMBL20563412 0.74 NPC1 (0.56) SMN1; SMN2MAPTTSHRHTTRAB9A
SCHEMBL1382287 0.73 RAB9A (0.49) SMN1; SMN2MAPTRAB9ANPC1POLB

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 SMN1; SMN2 787/4885MAPT 3578/4885TSHR 3927/4885

“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.