SCHEMBL13640779

SCHEMBL13640779

COC(=O)NC1CCCCC(N2CCC3(CC2)CN(C(=O)OC)c2ccc(F)cc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.37
MERTK Q12866 3/20 0.37
CTSS P25774 1/20 0.36
SETD2 Q9BYW2 4/20 0.36
ACKR3 P25106 3/20 0.35
NSD2 O96028 1/20 0.35
CYP2C8 P10632 1/20 0.35
DRD2 P14416 1/20 0.35
HTR1B P28222 1/20 0.35
CSNK1D P48730 2/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
CYP2D6 P10635 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL13640862 0.92 MEN1 (0.39) AXLMERTKCTSSSETD2NSD2
SCHEMBL13640872 0.92 CTSS (0.39) AXLMERTKCTSSSETD2ACKR3
SCHEMBL13641038 0.92 CTSS (0.35) AXLMERTKCTSSSETD2ACKR3
SCHEMBL13640717 0.91 CTSS (0.35) AXLMERTKCTSSSETD2ACKR3
SCHEMBL13640815 0.91 CTSS (0.37) AXLMERTKCTSSSETD2ACKR3
SCHEMBL13640987 0.90 CTSS (0.38) AXLMERTKCTSSDRD2DPP4
SCHEMBL13640841 0.90 CTSS (0.37) AXLMERTKCTSSSETD2CSNK1D
SCHEMBL13640767 0.90 CTSS (0.37) AXLMERTKCTSSSETD2CSNK1D
SCHEMBL13640843 0.88 IDO1 (0.35) AXLMERTKCTSSSETD2ACKR3
SCHEMBL13641025 0.86 SETD2 (0.41) CTSSSETD2

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 AXL 2648/4885MERTK 900/4885CTSS 3839/4885

“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.