SCHEMBL6135635

SCHEMBL6135635

CCCOC1CCN(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
LIPG Q9Y5X9 3/20 0.35
LIPC P11150 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
CES2 O00748 1/20 0.33
PDK2 Q15119 1/20 0.32
LIPE Q05469 1/20 0.30

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
SCHEMBL6134978 0.91 LIPG (0.43) MLNRCHRM2CHRM1CHRM3HTR2A
SCHEMBL6134246 0.87 POLB (0.32) LIPGPDK2
SCHEMBL23466734 0.86 LIPG (0.40) LIPGLIPCPDK2
SCHEMBL6132550 0.82 LSS (0.36) LIPGLIPCCES2
SCHEMBL6135131 0.81 LIPC (0.34) LIPGLIPC
SCHEMBL2912964 0.78 KCNQ3 (0.32)
SCHEMBL6135025 0.76 CTSL (0.40) LIPG
SCHEMBL25246960 0.75 CFTR (0.31)
Hydrochloric Acid SCHEMBL2149437 0.74 GNAO1 (0.43) CHRM1CES2
SCHEMBL6135230 0.74 LIPC (0.39) MLNRCHRM2CHRM1CHRM3HTR2A

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 MLNR 2916/4885CHRM2 1228/4885CHRM1 424/4885

“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.