SCHEMBL13640837

SCHEMBL13640837

COC(=O)NC1CCCCC(N2CCC3(CC2)COc2ccc(F)cc23)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
SETD2 Q9BYW2 4/20 0.39
ACKR3 P25106 7/20 0.36
KCNH2 Q12809 3/20 0.36
DRD2 P14416 2/20 0.36
NSD2 O96028 1/20 0.36
CYP2C8 P10632 1/20 0.36
HTR1B P28222 1/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
AKR1B1 P15121 1/20 0.35
CCR2 P41597 1/20 0.34
HTR2A P28223 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
SCHEMBL13640995 0.92 CHRNA7 (0.41) CHRNA7SETD2ACKR3KCNH2DRD2
SCHEMBL13640831 0.92 CHRNA7 (0.38) CHRNA7SETD2ACKR3KCNH2DRD2
SCHEMBL13640795 0.91 CHRNA7 (0.39) CHRNA7SETD2ACKR3DRD2NSD2
SCHEMBL13640900 0.91 CHRNA7 (0.38) CHRNA7SETD2ACKR3KCNH2DRD2
SCHEMBL13640874 0.91 MCHR1 (0.37) CHRNA7SETD2
SCHEMBL13641035 0.91 CHRNA7 (0.37) CHRNA7SETD2ACKR3KCNH2DRD2
SCHEMBL13640994 0.90 CHRNA7 (0.38) CHRNA7SETD2ACKR3DRD2NSD2
SCHEMBL13640881 0.89 CHRNA7 (0.38) CHRNA7SETD2ACKR3KCNH2DRD2
SCHEMBL13640757 0.89 CHRNA7 (0.39) CHRNA7SETD2ACKR3DRD2NSD2
SCHEMBL13640938 0.89 CHRNA7 (0.37) CHRNA7SETD2ACKR3KCNH2DRD2

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 CHRNA7 23/4885SETD2 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.