SCHEMBL6135614

SCHEMBL6135614

CCCOC1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
HRH3 Q9Y5N1 11/20 0.49
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
GPR119 Q8TDV5 2/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ELANE P08246 1/20 0.39

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
SCHEMBL6134054 0.92 HRH3 (0.50) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL6134370 0.88 CHRNA10 (0.52) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL6133029 0.85 CHRNA10 (0.44) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL6132263 0.84 CHRNA10 (0.43) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL20346944 0.80 KDM4E (0.53) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL16447595 0.78 HRH3 (0.51) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL10243310 0.77 CHRNA10 (0.56) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL11618676 0.77 GRIA1 (0.42) HRH3GPR119
SCHEMBL31752860 0.76 CARM1 (0.49) CHRNA10CHRNA9HRH3KDM4ETP53
SCHEMBL1748901 0.75 KDM4E (0.58) CHRNA10CHRNA9HRH3KDM4ETP53

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 CHRNA10 4186/4885CHRNA9 3824/4885HRH3 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.