SCHEMBL6134946

SCHEMBL6134946

COCCCCCCCN1CCC(c2ccc(-c3nnc(-c4ccc(C(=O)OC)cc4)s3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.44
CSNK2A2 P19784 2/20 0.43
CSNK2A1 P68400 2/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
DRD2 P14416 1/20 0.42
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
MAOB P27338 1/20 0.40
MCHR1 Q99705 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL6134711 0.91 CSNK2A2 (0.51) DGAT1CSNK2A2CSNK2A1HRH3MAOB
SCHEMBL6134824 0.89 HRH1 (0.48) HRH1HRH3ADRA1DADRA1AADRA1B
SCHEMBL6135024 0.87 CTSL (0.46) CSNK2A2CSNK2A1HRH1HRH3KDM4E
SCHEMBL6134968 0.85 MAOB (0.47) HRH1HRH3ADRA1DADRA1AADRA1B
SCHEMBL6134614 0.84 DRD3 (0.47) CSNK2A2CSNK2A1HRH3DRD2ALDH1A1
SCHEMBL6134617 0.84 HDAC3 (0.46) HRH1DRD2MAOBMCHR1SIGMAR1
SCHEMBL6134373 0.84 DGAT1 (0.41) DGAT1CSNK2A2CSNK2A1HRH3PDE4D
SCHEMBL6538504 0.82 CSNK2A2 (0.44) CSNK2A2CSNK2A1HRH1PDE4DPDE7A
Trifluoroacetic Acid SCHEMBL6133865 0.81 MAOB (0.40) DGAT1CSNK2A2CSNK2A1HRH1HRH3
SCHEMBL63533 0.80 SLC18A3 (0.53) HRH1HRH3DRD2MCHR1KDM4E

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
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 DGAT1 3670/4885CSNK2A2 1527/4885CSNK2A1 961/4885

“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.