SCHEMBL6134435

SCHEMBL6134435

COCCCCCCOC1CCC(N2CCC(Oc3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.61
GPR119 Q8TDV5 1/20 0.43
KCNH2 Q12809 3/20 0.40
CYP2D6 P10635 1/20 0.40
FPR2 P25090 1/20 0.39
PROKR1 Q8TCW9 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
SCHEMBL6135361 0.80 HRH3 (0.50) HRH3
SCHEMBL6931727 0.80 MAPK1 (0.39) HRH3KCNH2
SCHEMBL6134754 0.79 HRH3 (0.45) HRH3
SCHEMBL6132263 0.78 CHRNA10 (0.43) HRH3
SCHEMBL6134940 0.78 HRH3 (0.48) HRH3
SCHEMBL5203744 0.77 HRH3 (1.00) HRH3KCNH2CYP2D6
SCHEMBL4229898 0.77 HRH3 (0.94) HRH3KCNH2CYP2D6
SCHEMBL6133029 0.77 CHRNA10 (0.44) HRH3
SCHEMBL6134828 0.76 RAB9A (0.43) HRH3KCNH2
SCHEMBL5205683 0.76 HRH3 (1.00) HRH3KCNH2CYP2D6

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 1440/4885GPR119 370/4885KCNH2 2774/4885

“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.