SCHEMBL13640785

SCHEMBL13640785

CCOC(=O)NC1CCCCC(N2CCC3(CC2)CNc2ccc(F)cc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 8/20 0.38
NSD2 O96028 1/20 0.38
CYP2C8 P10632 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1B P28222 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
ACKR3 P25106 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CHRM1 P11229 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL13640792 0.91 POLB (0.37) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13640797 0.91 SETD2 (0.37) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13640861 0.91 DRD2 (0.35) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13641006 0.90 POLB (0.44) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13640752 0.88 MAPT (0.41) DRD2MAPK1POLBOPRL1LMNA
SCHEMBL13641068 0.87 CCR3 (0.41) DRD2MEN1MAPK1HTTKMT2A
SCHEMBL13640795 0.83 CHRNA7 (0.39) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL13641030 0.81 NOTUM (0.39) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL12084124 0.81 CHRM1 (0.43) MEN1MAPK1HTTKMT2AOPRM1
SCHEMBL13640788 0.81 KCNH2 (0.39) SETD2NSD2CYP2C8DRD2HTR1B

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 SETD2 3573/4885NSD2 3039/4885CYP2C8 1286/4885

“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.