SCHEMBL3549231

SCHEMBL3549231

CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1cc(F)c(N)cc1F)C2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.52
HTR3A P46098 11/20 0.52
GAA P10253 1/20 0.50
HTR3E A5X5Y0 1/20 0.47
SLC22A2 O15244 1/20 0.47
HTR3B O95264 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SLC47A1 Q96FL8 1/20 0.47

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
SCHEMBL3539091 0.88 HTR4 (0.61) HTR4HTR3AGAAKCNH2
SCHEMBL3544464 0.88 HTR4 (0.61) HTR4HTR3AGAAKCNH2
SCHEMBL3540287 0.85 USP2 (0.53) HTR4HTR3AGAA
SCHEMBL3550487 0.84 GAA (0.55) HTR4HTR3AGAA
SCHEMBL1780880 0.82 MEN1 (0.55) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL1780879 0.82 MEN1 (0.55) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL3543720 0.82 MEN1 (0.55) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL3543722 0.82 MEN1 (0.55) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL1781337 0.80 ACKR3 (0.49)
SCHEMBL3540628 0.78 USP30 (0.47) CHRNB2CHRNA3CHRNA4

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 HTR4 3043/4885HTR3A 2998/4885GAA 159/4885

“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.