SCHEMBL13640767

SCHEMBL13640767

COC(=O)N1CC2(CCN(C3CCCCC(NC(=O)O[C@@H]4CCOC4)C3)CC2)c2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.37
SETD2 Q9BYW2 1/20 0.37
AXL P30530 3/20 0.35
MERTK Q12866 3/20 0.35
CCR2 P41597 2/20 0.35
KCNH2 Q12809 1/20 0.35
ADAM10 O14672 1/20 0.35
FASN P49327 3/20 0.33
CSNK1D P48730 2/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
IDO1 P14902 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 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
SCHEMBL13640841 1.00 CTSS (0.37) CTSSSETD2AXLMERTKCCR2
SCHEMBL13640878 0.95 IDO1 (0.37) CTSSSETD2AXLMERTKCCR2
SCHEMBL13640770 0.95 IDO1 (0.37) CTSSSETD2AXLMERTKCCR2
SCHEMBL13640830 0.94 SETD2 (0.37) CTSSSETD2AXLMERTKCCR2
SCHEMBL13640801 0.93 CTSS (0.38) CTSSSETD2AXLMERTKCCR2
SCHEMBL13640718 0.93 CTSS (0.38) CTSSSETD2AXLMERTKCCR2
SCHEMBL13640942 0.92 CTSS (0.36) CTSSSETD2AXLMERTKCCR2
SCHEMBL13640736 0.92 CTSS (0.36) CTSSSETD2AXLMERTKCCR2
SCHEMBL13640849 0.91 CTSS (0.38) CTSSSETD2AXLMERTKCCR2
SCHEMBL13640960 0.91 CTSS (0.38) CTSSSETD2AXLMERTKCCR2

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 3839/4885SETD2 3573/4885AXL 2648/4885

“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.