SCHEMBL13640898

SCHEMBL13640898

COCCOC(=O)NC1CCCCC(N2CCC3(CC2)CN(C(=O)N(C)C)c2ccc(F)cc23)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.36
SETD2 Q9BYW2 6/20 0.34
ACKR3 P25106 3/20 0.33
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
CYP2D6 P10635 1/20 0.33
CCR3 P51677 1/20 0.33
NSD2 O96028 1/20 0.33
CYP2C8 P10632 1/20 0.33
DRD2 P14416 1/20 0.33
HTR1B P28222 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
SCHEMBL13641066 0.94 CTSS (0.36) CTSSSETD2ACKR3AXLMERTK
SCHEMBL13640781 0.93 CTSS (0.36) CTSSSETD2ACKR3AXLMERTK
SCHEMBL13640717 0.92 CTSS (0.35) CTSSSETD2ACKR3AXLMERTK
SCHEMBL13640735 0.92 SETD2 (0.37) CTSSSETD2ACKR3AXLMERTK
SCHEMBL13640843 0.92 IDO1 (0.35) CTSSSETD2ACKR3AXLMERTK
SCHEMBL13641013 0.92 CTSS (0.36) CTSSSETD2AXLMERTKNSD2
SCHEMBL13640815 0.91 CTSS (0.37) CTSSSETD2ACKR3AXLMERTK
SCHEMBL13640929 0.90 CTSS (0.36) CTSSSETD2AXLMERTK
SCHEMBL13641010 0.90 CTSS (0.36) CTSSSETD2ACKR3AXLMERTK
SCHEMBL13641052 0.89 IDO1 (0.34) CTSSSETD2ACKR3AXLMERTK

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 3573/4885ACKR3 400/4885

“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.