SCHEMBL13640788

SCHEMBL13640788

CCNC(=O)N1CC2(CCN(C3CCCCC(NC(=O)OCC)C3)CC2)c2cc(F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SETD2 Q9BYW2 4/20 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
AXL P30530 3/20 0.35
MERTK Q12866 3/20 0.35
CTSS P25774 1/20 0.35
CHRM1 P11229 1/20 0.35
CSNK1D P48730 2/20 0.34
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
CYP2D6 P10635 1/20 0.33

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
SCHEMBL13640948 0.92 CTSS (0.39) MEN1MAPK1HTTKMT2ASETD2
SCHEMBL13641030 0.91 NOTUM (0.39) MEN1MAPK1HTTKMT2ASETD2
SCHEMBL13640879 0.91 ALDH1A1 (0.39) MEN1MAPK1HTTKMT2A
SCHEMBL13640862 0.90 MEN1 (0.39) MEN1MAPK1HTTKMT2ASETD2
SCHEMBL13640880 0.90 CTSS (0.37) MEN1MAPK1HTTKMT2ASETD2
SCHEMBL13641044 0.89 CTSS (0.39) MEN1MAPK1HTTKMT2ASETD2
SCHEMBL13641013 0.89 CTSS (0.36) MEN1MAPK1HTTKMT2ASETD2
SCHEMBL13640867 0.89 MEN1 (0.38) MEN1MAPK1HTTKMT2ASETD2
SCHEMBL13640894 0.89 MEN1 (0.40) MEN1MAPK1HTTKMT2AAXL
SCHEMBL13641093 0.88 MEN1 (0.38) MEN1MAPK1HTTKMT2ASETD2

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 KCNH2 499/4885MEN1 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.