SCHEMBL13640704

SCHEMBL13640704

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SETD2 Q9BYW2 2/20 0.36
NSD2 O96028 1/20 0.36
CYP2C8 P10632 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1B P28222 1/20 0.36
THRB P10828 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 3/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13641030 0.92 NOTUM (0.39) NOTUMMEN1KMT2ASETD2NSD2
SCHEMBL13641040 0.92 NOTUM (0.53) NOTUMMEN1KMT2ASETD2NSD2
SCHEMBL13640768 0.90 NOTUM (0.50) NOTUMDRD2LMNAMAPTPOLB
SCHEMBL13640862 0.84 MEN1 (0.39) MEN1KMT2ASETD2NSD2CYP2C8
SCHEMBL13640880 0.83 CTSS (0.37) MEN1KMT2ASETD2NSD2CYP2C8
SCHEMBL13640867 0.83 MEN1 (0.38) MEN1KMT2ASETD2NSD2CYP2C8
SCHEMBL13641013 0.83 CTSS (0.36) MEN1KMT2ASETD2NSD2CYP2C8
SCHEMBL13640948 0.83 CTSS (0.39) MEN1KMT2ASETD2NSD2CYP2C8
SCHEMBL13641044 0.83 CTSS (0.39) MEN1KMT2ASETD2NSD2CYP2C8
SCHEMBL13640735 0.83 SETD2 (0.37) NOTUMSETD2NSD2CYP2C8DRD2

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 NOTUM 2979/4885MEN1 2451/4885KMT2A 1927/4885

“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.