SCHEMBL3327015

SCHEMBL3327015

O=CCN(C(=O)C1CCNCC1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.39
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HTT P42858 1/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
PTGIR P43119 2/20 0.35
PTGDR Q13258 1/20 0.35
TACR1 P25103 4/20 0.35
REN P00797 1/20 0.34
KCNH2 Q12809 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL3330234 0.90 TACR1 (0.40) NR1H4NOS1NOS2SLC6A4SLC6A2
SCHEMBL8303076 0.72 CNR2 (0.45) NR1H4HTT
SCHEMBL15732621 0.72 EPHX2 (0.40)
SCHEMBL3423198 0.70 HTT (0.55) NR1H4HTTSLC6A4SLC6A2KCNH2
SCHEMBL3160941 0.69 MT-CO2 (0.38) SLC6A4PTGIRPTGDRKDM1A
SCHEMBL31693930 0.69 DPP4 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL924025 0.68 TACR1 (0.49) SLC6A4SLC6A2TACR1KCNH2
SCHEMBL11904712 0.68 PTPRB (0.45) KCNH2
SCHEMBL1143597 0.66 MEN1 (0.58) KDM1AMAOB
SCHEMBL8303697 0.66 HTT (0.61) NR1H4HTTCHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 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-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, MTOR NR1H4 1821/4885NOS1 3902/4885NOS2 3696/4885

“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.