SCHEMBL1808616

SCHEMBL1808616

O=C(O)N1C[C@H]2CCNc3ccc(Cl)cc3[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
F12 P00748 3/20 0.38
F2 P00734 2/20 0.38
HSD11B1 P28845 2/20 0.37
DPP4 P27487 2/20 0.36
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AVPR1A P37288 2/20 0.35
CDC25B P30305 1/20 0.34
PTGDR Q13258 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
ATM Q13315 1/20 0.34
PTGER2 P43116 1/20 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
SCHEMBL1808615 1.00 SIRT2 (0.39) SIRT2SIRT1F12F2HSD11B1
SCHEMBL1808618 1.00 SIRT2 (0.39) SIRT2SIRT1F12F2HSD11B1
SCHEMBL1804922 0.85 L3MBTL1 (0.36) MEN1KMT2APTGDRPTGDR2
SCHEMBL1806070 0.85 HCRTR1 (0.32)
SCHEMBL1804920 0.85 L3MBTL1 (0.36) MEN1KMT2APTGDRPTGDR2
SCHEMBL1806073 0.85 HCRTR1 (0.32)
SCHEMBL1804923 0.85 L3MBTL1 (0.36) MEN1KMT2APTGDRPTGDR2
SCHEMBL1806072 0.85 HCRTR1 (0.32)
SCHEMBL1807226 0.82 CHRNB2 (0.39) F12F2HSD11B1
SCHEMBL1807232 0.82 CHRNB2 (0.39) F12F2HSD11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C SIRT2 2979/4885SIRT1 2646/4885F12 527/4885

“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.