SCHEMBL3557183

SCHEMBL3557183

O=C(O)C(c1ccc(F)c(F)c1)N1CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
ADRA1A P35348 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
HSD11B1 P28845 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
GAA P10253 1/20 0.37
KCNQ2 O43526 1/20 0.37
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3556189 0.96 MCHR1 (0.44) MCHR1ADRA1ACES2CES1HSD11B1
SCHEMBL3558729 0.81 LMNA (0.41) MCHR1ADRA1ALMNATSHRCHRM2
SCHEMBL3551369 0.78 LMNA (0.41) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL3556231 0.77 HSD11B1 (0.41) CES2CES1HSD11B1TSHRALDH1A1
SCHEMBL3558324 0.76 MCHR1 (0.49) MCHR1CES2CES1HSD11B1TSHR
SCHEMBL15063146 0.76 LMNA (0.56) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL628348 0.76 LMNA (0.56) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL30968942 0.72 CES2 (0.43) CES2CES1HSD11B1TSHRALDH1A1
SCHEMBL11111195 0.72 ALDH1A1 (0.48) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL1002847 0.72 MCHR1 (0.36) MCHR1ADRA1AHSD11B1LMNACHRM2

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-7727998-B2 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MSD K.K. (JP) 2006-05-18 US disclosed
EP-1595867-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS CONTAINING PIPERIDINE DERIVATIVES AS THE ACTIVE INGREDIENT BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-16 EP 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-20060106046-A1 Melanin-concentrating hormone receptor antagonists containing piperidine derivatives as the active ingredient MCHR1, MC1R, PRLHR MCHR1 1/4885ADRA1A 43/4885CES2 1865/4885

“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.