SCHEMBL13640839

SCHEMBL13640839

C[C@H](C1CCCC1)N1CCC2(CCOc3ccc(Cl)cc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.38
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
NPY5R Q15761 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL13640759 0.90 IDO1 (0.40) IDO1TDO2ALDH1A1GRIN2DGRIN3B
SCHEMBL12084363 0.79 MAP3K14 (0.41) MAP3K14MAPTALDH1A1LMNATP53
SCHEMBL13640927 0.76 TNKS (0.37) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13640965 0.76 CHRNA7 (0.41) IDO1TDO2MAPT
SCHEMBL13640842 0.76 CHRNA7 (0.41) IDO1TDO2MAPT
SCHEMBL12084484 0.74 MAP3K14 (0.41) MAP3K14
SCHEMBL13643897 0.73 MAP3K14 (0.37) MAP3K14GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL12198930 0.73 MAP3K14 (0.35) MAP3K14IDO1TDO2
SCHEMBL13640809 0.72 MAP3K14 (0.36) MAP3K14IDO1TDO2MAPTNPY5R
SCHEMBL12084406 0.71 EBP (0.44) MAP3K14

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-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 MAP3K14 1920/4885IDO1 1589/4885TDO2 3750/4885

“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.