SCHEMBL13640823

SCHEMBL13640823

O=C(NC1CCCCC(N2CCC3(CC2)COc2ccc(F)cc23)C1)O[C@@H]1CCOC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
SETD2 Q9BYW2 1/20 0.37
CHRNA7 P36544 1/20 0.36
FASN P49327 6/20 0.34
KCNH2 Q12809 2/20 0.34
CCR2 P41597 1/20 0.34
ADAM10 O14672 1/20 0.34
ACKR3 P25106 3/20 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
SCHEMBL13640928 1.00 HRH3 (0.39) HRH3SETD2CHRNA7FASNKCNH2
SCHEMBL13640831 0.94 CHRNA7 (0.38) SETD2CHRNA7KCNH2ACKR3
SCHEMBL13640900 0.93 CHRNA7 (0.38) HRH3SETD2CHRNA7KCNH2ACKR3
SCHEMBL13640837 0.88 CHRNA7 (0.39) SETD2CHRNA7KCNH2CCR2ACKR3
SCHEMBL13640995 0.85 CHRNA7 (0.41) HRH3SETD2CHRNA7KCNH2ACKR3
SCHEMBL13640795 0.85 CHRNA7 (0.39) HRH3SETD2CHRNA7ACKR3
SCHEMBL13640938 0.84 CHRNA7 (0.37) HRH3SETD2CHRNA7KCNH2ACKR3
SCHEMBL13640848 0.84 CHRNA7 (0.40) SETD2CHRNA7
SCHEMBL13640994 0.83 CHRNA7 (0.38) SETD2CHRNA7ACKR3
SCHEMBL13640876 0.83 CHRNA7 (0.39) SETD2CHRNA7KCNH2ACKR3

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 HRH3 261/4885SETD2 3573/4885CHRNA7 23/4885

“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.