SCHEMBL6134966

SCHEMBL6134966

COC1(C2CCCCC2)CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 6/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
HRH3 Q9Y5N1 5/20 0.39
HTR7 P34969 1/20 0.39
KCNH2 Q12809 1/20 0.38
CTSB P07858 1/20 0.37
CHEK1 O14757 1/20 0.36

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
SCHEMBL376862 0.79 CHRNA10 (0.41) KDM4ETP53MEN1CHRNA10CHRNA9
SCHEMBL13099171 0.78 USP2 (0.52) KDM4ETP53MEN1CHEK1
SCHEMBL13273660 0.78 MAPT (0.49) KDM4EMEN1
SCHEMBL6132812 0.77 HRH3 (0.38) CTSKHRH3
SCHEMBL12126935 0.77 KDM4E (0.53) KDM4ETP53CHRNA10CHRNA9HRH3
SCHEMBL13099125 0.77 ALDH1A1 (0.51) MEN1
SCHEMBL6132324 0.74 HDAC3 (0.43) KDM4EMEN1CTSSCTSKCTSB
SCHEMBL6132697 0.73 SIRT2 (0.45) MEN1
SCHEMBL6132402 0.72 ALDH1A1 (0.46) KDM4EMEN1
SCHEMBL13098814 0.72 HRH3 (0.39) HRH3

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 KDM4E 4301/4885TP53 3972/4885MEN1 880/4885

“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.