SCHEMBL3540287

SCHEMBL3540287

CCOc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c(F)cc1N

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
HTR4 Q13639 1/20 0.50
GAA P10253 1/20 0.48
HTR3A P46098 5/20 0.48
OPRK1 P41145 1/20 0.47
MAPT P10636 1/20 0.44
DRD2 P14416 1/20 0.43

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 0.89 HTR4 (0.61) HTR4GAAHTR3ADRD2
SCHEMBL3544464 0.89 HTR4 (0.61) HTR4GAAHTR3ADRD2
SCHEMBL3549231 0.85 HTR4 (0.52) HTR4GAAHTR3A
SCHEMBL3544454 0.83 HTR7 (0.48) HTR4HTR3AOPRK1MAPTDRD2
SCHEMBL3943811 0.81 PIK3CA (0.46) HTR4HTR3AOPRK1MAPTDRD2
SCHEMBL3543445 0.81 PIK3CA (0.46) HTR4HTR3AOPRK1MAPTDRD2
SCHEMBL3550487 0.77 GAA (0.55) HTR4GAAHTR3A
SCHEMBL3543720 0.73 MEN1 (0.55) HTR3AOPRK1
SCHEMBL3543722 0.73 MEN1 (0.55) HTR3AOPRK1
SCHEMBL1780880 0.73 MEN1 (0.55) HTR3AOPRK1

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 USP2 4608/4885HTR4 3043/4885GAA 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.