SCHEMBL13640809

SCHEMBL13640809

C[C@H](CN1CCC2(CCOc3ccc(Cl)cc32)CC1)[C@H]1C=CCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.36
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
S1PR5 Q9H228 4/20 0.33
S1PR1 P21453 3/20 0.33
NPY5R Q15761 1/20 0.32
MAPT P10636 2/20 0.32
CCR1 P32246 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL13641034 0.79 S1PR5 (0.35) S1PR5S1PR1CCR1
SCHEMBL14467573 0.79 MAP3K14 (0.34) MAP3K14IDO1TDO2
SCHEMBL13644052 0.78 MAP3K14 (0.33) MAP3K14
SCHEMBL13644057 0.78 MAP3K14 (0.33) MAP3K14
SCHEMBL12198930 0.74 MAP3K14 (0.35) MAP3K14IDO1TDO2CCR1
SCHEMBL12084406 0.73 EBP (0.44) MAP3K14
SCHEMBL13640989 0.72 SIGMAR1 (0.51) TSHR
SCHEMBL13640814 0.72 SIGMAR1 (0.51) TSHR
SCHEMBL13640839 0.72 MAP3K14 (0.38) MAP3K14IDO1TDO2NPY5RMAPT
SCHEMBL13640944 0.71 MAP3K14 (0.34) MAP3K14IDO1TDO2

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.