SCHEMBL6134641

SCHEMBL6134641

COC(=O)c1ccc(C2CCN(CCCCCCCBr)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
DRD2 P14416 3/20 0.46
MCHR1 Q99705 3/20 0.46
CCR2 P41597 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RAD52 P43351 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 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
SCHEMBL6134824 0.89 HRH1 (0.48) HRH1ADRA1DADRA1AADRA1BHRH3
SCHEMBL6198682 0.86 HRH1 (0.47) HRH1ADRA1DADRA1AADRA1BHRH3
SCHEMBL6134968 0.85 MAOB (0.47) HRH1ADRA1DADRA1AADRA1BHRH3
SCHEMBL4652204 0.84 DRD2 (0.63) DRD2LMNAALDH1A1MAPT
SCHEMBL63533 0.83 SLC18A3 (0.53) HRH1HRH3DRD2MCHR1LMNA
SCHEMBL13436309 0.83 MCHR1 (0.58) HRH1ADRA1DADRA1AADRA1BHRH3
SCHEMBL63749 0.81 KDM4E (0.51) DRD2MCHR1LMNAALDH1A1SMN1; SMN2
SCHEMBL63894 0.80 HDAC3 (0.54) LMNAALDH1A1SMN1; SMN2
SCHEMBL28177768 0.79 ALDH1A1 (0.46) DRD2LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL6134946 0.79 DGAT1 (0.44) HRH1ADRA1DADRA1AADRA1BHRH3

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 1307/4885ADRA1D 1963/4885ADRA1A 2486/4885

“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.