SCHEMBL6134754

SCHEMBL6134754

CCOC(=O)c1ccc(OC2CCN(C3CCC(OCCCCCCOC)CC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
EPHX2 P34913 2/20 0.42
CHRM2 P08172 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL6134940 0.88 HRH3 (0.48) HRH3KMT2A
SCHEMBL6135361 0.87 HRH3 (0.50) HRH3ALDH1A1MAPK1
SCHEMBL6132359 0.85 ALDH1A1 (0.47) POLBALDH1A1MAPK1KMT2A
SCHEMBL6132432 0.85 ALDH1A1 (0.47) POLBALDH1A1MAPK1KMT2A
SCHEMBL6134291 0.84 MKNK1 (0.43) HRH3POLBEPHX2
SCHEMBL6134290 0.84 CA12 (0.39) HRH3ALDH1A1
SCHEMBL6134955 0.83 HRH3 (0.41) HRH3
SCHEMBL6134218 0.82 ALDH1A1 (0.60) HRH3POLBALDH1A1SCN1ASCN2A
SCHEMBL6132393 0.81 HTT (0.44) POLBALDH1A1MAPK1KMT2A
SCHEMBL6132246 0.81 HTT (0.44) POLBALDH1A1MAPK1KMT2A

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 HRH3 1440/4885POLB 1754/4885ALDH1A1 3841/4885

“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.