SCHEMBL6135083

SCHEMBL6135083

COCCCCCN1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
HRH1 P35367 1/20 0.55
DRD3 P35462 2/20 0.49
DRD2 P14416 1/20 0.49
KCNH2 Q12809 2/20 0.49
HTR7 P34969 1/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
SLC6A4 P31645 1/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6135057 1.00 HRH3 (0.57) HRH3HRH1DRD3DRD2KCNH2
SCHEMBL6135382 1.00 HRH3 (0.57) HRH3HRH1DRD3DRD2KCNH2
SCHEMBL20241810 0.89 HRH3 (0.53) HRH3HRH1DRD3DRD2KCNH2
SCHEMBL1714405 0.88 HRH3 (0.74) HRH3HRH1DRD3DRD2KCNH2
SCHEMBL1714712 0.82 HRH3 (0.77) HRH3HRH1DRD3DRD2KCNH2
SCHEMBL6135422 0.82 SLC6A2 (0.60) HRH1DRD3DRD2KCNH2HTR7
SCHEMBL4233204 0.81 DRD2 (0.70) HRH3HRH1DRD3DRD2KCNH2
SCHEMBL3206275 0.80 CYP2D6 (0.58) HRH3HRH1DRD3DRD2KCNH2
SCHEMBL7487458 0.80 HRH3 (0.53) HRH3HRH1DRD3DRD2KCNH2
SCHEMBL6132263 0.79 CHRNA10 (0.43) HRH3HRH1KDM4ETP53

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 1440/4885HRH1 1307/4885DRD3 3975/4885

“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.