SCHEMBL3540628

SCHEMBL3540628

CN1CC[C@@H](NC(=O)c2cc(F)c(N)cc2F)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.47
PIK3CA P42336 2/20 0.45
MTOR P42345 2/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ACKR3 P25106 1/20 0.42
HPGD P15428 1/20 0.42
CHEK1 O14757 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3936908 1.00 USP30 (0.47) USP30PIK3CAMTORCHRNB2CHRNB4
SCHEMBL1781337 0.92 ACKR3 (0.49) USP30PIK3CAMTORACKR3HPGD
SCHEMBL3936693 0.89 HTR4 (0.51)
SCHEMBL3552993 0.89 HTR4 (0.51)
SCHEMBL19175394 0.88 RIPK2 (0.44) USP30PIK3CAMTORCHRNB2CHRNB4
SCHEMBL3942580 0.87 HTR4 (0.47)
SCHEMBL3538922 0.87 HTR4 (0.47)
SCHEMBL3543445 0.84 PIK3CA (0.46) PIK3CAMTORCHRNA4HRH3
SCHEMBL3943811 0.84 PIK3CA (0.46) PIK3CAMTORCHRNA4HRH3
SCHEMBL3546444 0.81 HTR4 (0.57) CHRNA4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO 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 USP30 4524/4885PIK3CA 2577/4885MTOR 357/4885

“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.