SCHEMBL2636716

SCHEMBL2636716

O=C(O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2C P28335 2/20 0.51
P2RY14 Q15391 6/20 0.50
DRD1 P21728 2/20 0.50
DRD5 P21918 2/20 0.50
ADRB3 P13945 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1E P28566 1/20 0.50
TSPO P30536 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
HTR5A P47898 1/20 0.50
KCNH2 Q12809 1/20 0.50
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL5535882 0.86 LIPE (0.51) LIPECHRM2CHRM5CHRM1CHRM3
SCHEMBL1581482 0.82 DRD2 (0.58) HTR2CNOTUMRBP4
SCHEMBL2636274 0.81 RAB9A (0.57) GAAHSD11B1
SCHEMBL23577524 0.81 GAA (0.50) CHRM2CHRM5CHRM1CHRM3GAA
SCHEMBL8220312 0.81 LIPE (0.50) LIPECHRM2CHRM5CHRM1CHRM3
SCHEMBL20568305 0.81 RBP4 (0.42) LIPECHRM2CHRM5CHRM1CHRM3
SCHEMBL21381864 0.81 HDAC4 (0.47) LIPECHRM2CHRM5CHRM1CHRM3
SCHEMBL21381906 0.81 GAA (0.48) GAATDP1NOTUMTRPV1HSD11B1
SCHEMBL23859722 0.81 MGLL (0.60) CHRM2CHRM5CHRM1CHRM3P2RY14
SCHEMBL23442930 0.80 MAPT (0.47) LIPECHRM2CHRM5CHRM1CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US 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-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 LIPE 2800/4885CHRM2 2219/4885CHRM5 1938/4885

“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.