SCHEMBL3963867

SCHEMBL3963867

CCOC(=O)CC1CCc2c1ccc(NC)c2Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HSD17B1 P14061 1/20 0.36
CYP1A2 P05177 1/20 0.35
PPARD Q03181 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19985032 0.77 CYP11B1 (0.45) CYP11B1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL12798477 0.77 ESR1 (0.51) CYP11B1CYP11B2ADRA2AADRA2BADRA2C
SCHEMBL3958902 0.77 CYP11B1 (0.41) CYP11B1CYP11B2HSD17B1PPARDGAA
SCHEMBL1338586 0.75 FFAR1 (0.44) CYP11B1CYP11B2ADRA1AHSD17B1CYP1A2
SCHEMBL1339687 0.75 CYP11B1 (0.51) CYP11B1CYP11B2HSD17B1CYP1A2PPARD
SCHEMBL26308105 0.75 FFAR1 (0.44) CYP11B1CYP11B2ADRA1AHSD17B1CYP1A2
SCHEMBL3966013 0.73 PPARD (0.46) CYP11B1CYP11B2HSD17B1PPARD
SCHEMBL3965850 0.73 CYP11B1 (0.42) CYP11B1CYP11B2HSD17B1NPC1RAB9A
SCHEMBL19984879 0.72 CYP11B1 (0.56) CYP11B1CYP11B2CYP1A2ALDH1A1KMT2A
SCHEMBL21081133 0.70 ALDH1A1 (0.42) CYP11B1CYP11B2HSD17B1CYP1A2ALDH1A1

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
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN 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 47/4885ADRA2A 298/4885

“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.