SCHEMBL13640747

SCHEMBL13640747

CC(=O)N1CC2(CCN(C3CCCCC(NC(=O)OC(C)C)C3)CC2)c2cc(F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.39
NOTUM Q6P988 3/20 0.39
SETD2 Q9BYW2 4/20 0.37
DRD2 P14416 2/20 0.37
NSD2 O96028 1/20 0.37
CYP2C8 P10632 1/20 0.37
HTR1B P28222 1/20 0.37
AKT1 P31749 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 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
SCHEMBL13640872 0.93 CTSS (0.39) CTSSSETD2DRD2AXLMERTK
SCHEMBL13640999 0.92 CTSS (0.40) CTSSSETD2DRD2AXLMERTK
SCHEMBL13640877 0.92 CTSS (0.38) CTSSSETD2DRD2AXLMERTK
SCHEMBL13640860 0.90 CTSS (0.38) CTSSSETD2AXLMERTK
SCHEMBL13640905 0.89 NOTUM (0.39) CTSSNOTUMSETD2DRD2NSD2
SCHEMBL13641030 0.88 NOTUM (0.39) CTSSNOTUMSETD2DRD2NSD2
SCHEMBL13641092 0.88 CTSS (0.37) CTSSSETD2DRD2ADRA1DADRA1A
SCHEMBL13641028 0.87 CTSS (0.40) CTSSSETD2AXLMERTK
SCHEMBL13640957 0.87 SETD2 (0.41) CTSSSETD2AKT1
SCHEMBL13640778 0.86 GFER (0.36) CTSSSETD2AXLMERTK

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 CTSS 3839/4885NOTUM 2979/4885SETD2 3573/4885

“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.