SCHEMBL1189281

SCHEMBL1189281

COC(=O)CC1CCC(CC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 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
SCHEMBL7217097 0.92 BRD4 (0.42) BRD4SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL24197361 0.91 BRD4 (0.50) BRD4TSHRALDH1A1POLBMAPT
SCHEMBL26647720 0.91 BRD4 (0.50) BRD4TSHRALDH1A1POLBMAPT
SCHEMBL2036054 0.91
Ammonia Solution, Strong SCHEMBL27687914 0.89
SCHEMBL10248813 0.87 BRD4 (0.44) BRD4SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL22674820 0.83 PLG (0.50) BRD4ANPEPENPEPGABRA5GABRB2
SCHEMBL1188547 0.83 BRD4 (0.44) BRD4TSHRALDH1A1POLBMAPT
SCHEMBL1188989 0.83 BRD4 (0.44) BRD4TSHRALDH1A1POLBMAPT
SCHEMBL28529026 0.83 BRD4 (0.44) BRD4TSHRALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735425-B2 Tetrahydroisoquinoline derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-27 US disclosed
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP disclosed
US-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2256105-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-01 EP 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-20110034481-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DGAT1, DGAT2, DLAT BRD4 186/4885ANPEP 2624/4885ENPEP 3564/4885

“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.