SCHEMBL6134054

SCHEMBL6134054

CCCCOC1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.50
CHRNA10 Q9GZZ6 1/20 0.48
CHRNA9 Q9UGM1 1/20 0.48
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
GRM2 Q14416 1/20 0.42
HRH1 P35367 3/20 0.41
HRH2 P25021 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 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
SCHEMBL6135614 0.92 CHRNA10 (0.50) HRH3CHRNA10CHRNA9KDM4ETP53
SCHEMBL6133029 0.88 CHRNA10 (0.44) HRH3CHRNA10CHRNA9KDM4ETP53
SCHEMBL6132263 0.87 CHRNA10 (0.43) HRH3CHRNA10CHRNA9KDM4ETP53
SCHEMBL6134370 0.86 CHRNA10 (0.52) HRH3CHRNA10CHRNA9KDM4ETP53
SCHEMBL20346944 0.78 KDM4E (0.53) HRH3CHRNA10CHRNA9KDM4ETP53
SCHEMBL7331216 0.78 HRH3 (0.56) HRH3CHRNA10CHRNA9KDM4ETP53
SCHEMBL6538555 0.78 HRH3 (0.56) HRH3CHRNA10CHRNA9KDM4ETP53
SCHEMBL11617940 0.78 HRH3 (0.43) HRH3KDM4EHRH1HRH2
SCHEMBL19002069 0.76 HRH3 (0.48) HRH3TP53
SCHEMBL16447595 0.76 HRH3 (0.51) HRH3CHRNA10CHRNA9KDM4ETP53

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 1440/4885CHRNA10 4186/4885CHRNA9 3824/4885

“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.