SCHEMBL13640874

SCHEMBL13640874

COc1ccc(OC(=O)NC2CCCCC(N3CCC4(CC3)COc3ccc(F)cc34)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
FAAH O00519 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CCR1 P32246 1/20 0.36
CHRNA7 P36544 1/20 0.35
SETD2 Q9BYW2 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A9 P48067 1/20 0.35
CCR3 P51677 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
SCHEMBL13640837 0.91 CHRNA7 (0.39) CHRNA7SETD2
SCHEMBL13640995 0.86 CHRNA7 (0.41) CHRNA7SETD2
SCHEMBL13640831 0.86 CHRNA7 (0.38) CHRNA7SETD2
SCHEMBL13640795 0.86 CHRNA7 (0.39) CHRNA7SETD2MAPT
SCHEMBL13640900 0.85 CHRNA7 (0.38) CHRNA7SETD2
SCHEMBL13641035 0.85 CHRNA7 (0.37) CHRNA7SETD2
SCHEMBL13640793 0.85 CHRNA7 (0.37) CHRNA7SETD2
SCHEMBL13640994 0.84 CHRNA7 (0.38) CHRNA7SETD2
SCHEMBL13640881 0.84 CHRNA7 (0.38) CHRNA7SETD2
SCHEMBL13640938 0.84 CHRNA7 (0.37) CHRNA7SETD2

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 MCHR1 151/4885FAAH 1330/4885MMP1 4658/4885

“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.