SCHEMBL3550487

SCHEMBL3550487

CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(N)cc1F)C2

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
HTR3A P46098 7/20 0.53
HTR4 Q13639 1/20 0.51
HRH3 Q9Y5N1 3/20 0.51
CRBN Q96SW2 1/20 0.48

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
SCHEMBL3549231 0.84 HTR4 (0.52) GAAHTR3AHTR4
SCHEMBL3543959 0.83 GAA (0.52) GAAHTR3A
SCHEMBL1781864 0.81 ACKR3 (0.55) HRH3CRBN
SCHEMBL13498283 0.81 CRBN (0.57) GAAHRH3CRBN
SCHEMBL31567826 0.80 CRBN (0.60) HRH3CRBN
SCHEMBL7987541 0.80 CRBN (0.60) HRH3CRBN
SCHEMBL3544464 0.80 HTR4 (0.61) GAAHTR3AHTR4
SCHEMBL3539091 0.80 HTR4 (0.61) GAAHTR3AHTR4
SCHEMBL3543722 0.79 MEN1 (0.55) HTR3AHRH3
SCHEMBL3543720 0.79 MEN1 (0.55) HTR3AHRH3

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 GAA 159/4885HTR3A 2998/4885HTR4 3043/4885

“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.