SCHEMBL6134824

SCHEMBL6134824

COCCCCCCCN1CCC(c2ccc(C(=O)OC)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAOB P27338 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 2/20 0.46
CCR2 P41597 1/20 0.46
MCHR1 Q99705 1/20 0.46
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45

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
SCHEMBL6134968 0.95 MAOB (0.47) HRH1HRH3MAOBKDM4EMEN1
SCHEMBL63533 0.90 SLC18A3 (0.53) HRH1HRH3KDM4EALDH1A1SLC18A3
SCHEMBL6135091 0.89 ALDH1A1 (0.49) HRH3MAOBALDH1A1SLC18A3SIGMAR1
SCHEMBL6134641 0.89 HRH1 (0.49) HRH1HRH3ALDH1A1ADRA1DADRA1A
SCHEMBL6134946 0.89 DGAT1 (0.44) HRH1HRH3MAOBKDM4EMEN1
SCHEMBL6198682 0.85 HRH1 (0.47) HRH1HRH3KDM4EALDH1A1ADRA1D
SCHEMBL6135261 0.83 KMT2A (0.50) HRH1HRH3KDM4EMEN1ALDH1A1
SCHEMBL4652204 0.83 DRD2 (0.63) KDM4EALDH1A1DRD2
SCHEMBL13436309 0.82 MCHR1 (0.58) HRH1HRH3ADRA1DADRA1AADRA1B
SCHEMBL28177768 0.81 ALDH1A1 (0.46) KDM4EALDH1A1SLC18A3DRD2

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 HRH1 1307/4885HRH3 1440/4885MAOB 4591/4885

“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.