SCHEMBL13640861

SCHEMBL13640861

CC(C)COC(=O)NC1CCCCC(N2CCC3(CC2)CNc2ccc(F)cc23)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
SETD2 Q9BYW2 7/20 0.35
NSD2 O96028 1/20 0.35
CYP2C8 P10632 1/20 0.35
HTR1B P28222 1/20 0.35
SNRNP200 O75643 3/20 0.34
ACKR3 P25106 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
OPRK1 P41145 1/20 0.33
HSD11B1 P28845 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
HTR3A P46098 1/20 0.32

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
SCHEMBL13640785 0.91 SETD2 (0.38) DRD2OPRM1OPRL1SETD2NSD2
SCHEMBL13640797 0.89 SETD2 (0.37) DRD2OPRM1OPRL1SETD2NSD2
SCHEMBL13640757 0.84 CHRNA7 (0.39) DRD2SETD2NSD2CYP2C8HTR1B
SCHEMBL12084302 0.82 OPRM1 (0.40) OPRM1OPRL1OPRK1CACNA1FCACNA1D
SCHEMBL13640792 0.82 POLB (0.37) DRD2OPRM1OPRL1SETD2NSD2
SCHEMBL13640987 0.82 CTSS (0.38) DRD2DPP4DPP8DPP9DPP7
SCHEMBL13641006 0.81 POLB (0.44) DRD2SETD2NSD2CYP2C8HTR1B
SCHEMBL13643916 0.81 RAB9A (0.36) OPRM1OPRL1OPRK1HSD11B1
SCHEMBL13641068 0.79 CCR3 (0.41) DRD2OPRM1OPRL1OPRK1
SCHEMBL13640752 0.78 MAPT (0.41) DRD2OPRL1OPRK1

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 DRD2 491/4885OPRM1 177/4885OPRL1 108/4885

“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.