SCHEMBL13640879

SCHEMBL13640879

CCOC(=O)NC1CCCCC(N2CCC3(CC2)CN(C(=O)Nc2ccc(F)cc2)c2ccc(F)cc23)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 2/20 0.37
MAPT P10636 2/20 0.37
CXCR6 O00574 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
CCR3 P51677 2/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL13640788 0.91 KCNH2 (0.39) MEN1MAPK1HTTKMT2A
SCHEMBL13640948 0.91 CTSS (0.39) MEN1MAPK1HTTKMT2A
SCHEMBL13641030 0.90 NOTUM (0.39) MEN1MAPK1HTTKMT2A
SCHEMBL13641014 0.89 MEN1 (0.39) MEN1MAPK1HTTKMT2AMAPT
SCHEMBL13640894 0.89 MEN1 (0.40) MEN1MAPK1HTTKMT2ACCR3
SCHEMBL13640862 0.89 MEN1 (0.39) ALDH1A1MEN1MAPK1HTTKMT2A
SCHEMBL13640880 0.88 CTSS (0.37) MEN1MAPK1HTTKMT2AEGFR
SCHEMBL13641013 0.88 CTSS (0.36) MEN1MAPK1HTTKMT2A
SCHEMBL13641044 0.88 CTSS (0.39) MEN1MAPK1HTTKMT2A
SCHEMBL13640867 0.88 MEN1 (0.38) MEN1MAPK1HTTKMT2A

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 ALDH1A1 1353/4885MEN1 2451/4885MAPK1 3172/4885

“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.