SCHEMBL6134218

SCHEMBL6134218

CCOC(=O)c1ccc(OC2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.60
HRH3 Q9Y5N1 16/20 0.56
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3910337 0.87 SCN1A (0.58) ALDH1A1POLBHRH3SCN1ASCN2A
SCHEMBL11756971 0.84 LMNA (0.61) POLBSCN1ASCN2ASCN3A
SCHEMBL24244916 0.83 SCN1A (0.56) POLBHRH3SCN1ASCN2ASCN3A
SCHEMBL3310132 0.83 HRH3 (0.47) ALDH1A1POLBHRH3
SCHEMBL6539173 0.83 SCN1A (0.55) ALDH1A1POLBHRH3SCN1ASCN2A
SCHEMBL11758763 0.83 PARP10 (0.59) HRH3SCN1ASCN2ASCN3AMEN1
SCHEMBL20046236 0.82 GPR119 (0.55) HRH3
SCHEMBL16702533 0.82 HRH3 (0.61) HRH3
SCHEMBL6134929 0.82 MKNK1 (0.47) ALDH1A1POLBHRH3
SCHEMBL6134754 0.82 HRH3 (0.45) ALDH1A1POLBHRH3SCN1ASCN2A

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

“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.