SCHEMBL6741771

SCHEMBL6741771

CCC[C@@H](O)c1cccc(F)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRB1 P08588 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRB3 P13945 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
CYP3A4 P08684 1/20 0.32
PDE2A O00408 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
IGF1R P08069 1/20 0.31
CYP2D6 P10635 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL6745409 1.00 CYP11B1 (0.36) CYP11B1CYP11B2ADRB1ADRA2AADRB3
SCHEMBL6744226 0.86 PDE2A (0.44) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL10091381 0.82 CES2 (0.45) CYP11B1CYP11B2ADRB1ADRA2AADRB3
SCHEMBL1913425 0.82 CES2 (0.42) CYP11B1CYP11B2TAS1R3TAS1R1CES2
SCHEMBL6742914 0.81 MAPK1 (0.33) CYP11B1CYP11B2TAS1R3TAS1R1GABRA1
SCHEMBL6745332 0.81 MAPK1 (0.33) CYP11B1CYP11B2TAS1R3TAS1R1GABRA1
SCHEMBL30154112 0.80 ADRA2C (0.44) ADRA2AADRA2BADRA2CCYP3A4
SCHEMBL4114290 0.79 SIGMAR1 (0.39) CYP11B1CYP11B2ADRB1ADRA2AADRB3
SCHEMBL2477828 0.79 ADRB2 (0.39) ADRB1TAS1R3TAS1R1CYP3A4IGF1R
SCHEMBL13263927 0.79 CYP11B1 (0.36) CYP11B1CYP11B2ADRB1ADRA2AADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 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 (2 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 CYP11B1 1380/4885CYP11B2 1172/4885ADRB1 49/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR CYP11B1 743/4885CYP11B2 637/4885ADRB1 70/4885

“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.