SCHEMBL3611560

SCHEMBL3611560

CC(C)(C)OC(=O)N1CCc2cc(C(=O)Nc3cnn(COc4ccc(Cl)c(Cl)c4)c3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ESR2 Q92731 1/20 0.46
TMPRSS2 O15393 3/20 0.45
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
NAMPT P43490 7/20 0.41
ACACB O00763 1/20 0.40
NR1H2 P55055 1/20 0.40
GRAMD1A Q96CP6 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL3610635 0.90 NAMPT (0.48) MAPTSMN1; SMN2ESR2TMPRSS2SCD
SCHEMBL3599343 0.89 ESR2 (0.46) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL3596504 0.88 SMN1; SMN2 (0.57) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL3601198 0.87 ESR2 (0.46) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL3601422 0.86 RAF1 (0.43) MAPTESR2SCDSCD5NAMPT
SCHEMBL3599020 0.83 SMN1; SMN2 (0.57) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL3601224 0.83 SCD5 (0.51) MAPTSMN1; SMN2ESR2SCDSCD5
SCHEMBL3602942 0.82 MEN1 (0.51) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL3603596 0.82 SCD (0.53) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4
SCHEMBL3615745 0.81 SCD (0.51) MAPTSMN1; SMN2PLA2G1BCYP1A2CYP3A4

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 MAPT 3377/4885SMN1; SMN2 618/4885PLA2G1B 1893/4885

“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.