SCHEMBL13640872

SCHEMBL13640872

COC(=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
DRD2 P14416 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
SETD2 Q9BYW2 3/20 0.34
ACKR3 P25106 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
SCHEMBL13640860 0.93 CTSS (0.38) CTSSDPP4DPP8DPP9DPP7
SCHEMBL13640747 0.93 CTSS (0.39) CTSSDRD2ADRA1DADRA1AADRA1B
SCHEMBL13640779 0.92 AXL (0.37) CTSSDRD2DPP4DPP8DPP9
SCHEMBL13641092 0.92 CTSS (0.37) CTSSDRD2ADRA1DADRA1AADRA1B
SCHEMBL13640999 0.91 CTSS (0.40) CTSSDRD2ADRA1DADRA1AADRA1B
SCHEMBL13640877 0.91 CTSS (0.38) CTSSDRD2ADRA1DADRA1AADRA1B
SCHEMBL13640987 0.90 CTSS (0.38) CTSSDRD2ADRA1DADRA1AADRA1B
SCHEMBL13641028 0.89 CTSS (0.40) CTSSAXLMERTKSETD2
SCHEMBL13640862 0.89 MEN1 (0.39) CTSSDRD2DPP4DPP8DPP9
SCHEMBL13641038 0.88 CTSS (0.35) CTSSDRD2DPP4DPP8DPP9

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 3839/4885DRD2 491/4885ADRA1D 38/4885

“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.