SCHEMBL3958902

SCHEMBL3958902

CCOC(=O)CC1CCc2c1ccc(NC)c2-c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
GAA P10253 1/20 0.36
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
FFAR1 O14842 1/20 0.36
PPARA Q07869 6/20 0.36
PPARG P37231 5/20 0.36
PPARD Q03181 2/20 0.36
HSD17B1 P14061 1/20 0.35

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
SCHEMBL4251948 0.87 PPARD (0.45) FFAR1PPARAPPARGPPARD
SCHEMBL3964888 0.83 CYP11B1 (0.41) CYP11B1CYP11B2SLC6A3SLC6A4SLC6A2
SCHEMBL3971905 0.82 CYP11B1 (0.40) CYP11B1CYP11B2SLC6A3SLC6A4SLC6A2
SCHEMBL3963867 0.77 CYP11B1 (0.41) CYP11B1CYP11B2GAAPPARDHSD17B1
SCHEMBL3967329 0.76 CYP11B1 (0.44) CYP11B1CYP11B2SLC6A3SLC6A4SLC6A2
SCHEMBL3966953 0.75 PPARD (0.44) CYP11B1CYP11B2SLC6A3SLC6A4SLC6A2
SCHEMBL3965899 0.75 CYP11B1 (0.45) CYP11B1CYP11B2SLC6A3SLC6A4SLC6A2
SCHEMBL3963759 0.75 CYP11B1 (0.45) CYP11B1CYP11B2SLC6A3SLC6A4SLC6A2
SCHEMBL3958852 0.75 CYP11B1 (0.40) CYP11B1CYP11B2SLC6A3SLC6A4SLC6A2
SCHEMBL3961784 0.74 CYP11B1 (0.42) CYP11B1CYP11B2SLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CYP11B1 44/4885CYP11B2 47/4885SLC6A3 3674/4885

“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.