SCHEMBL7126672

SCHEMBL7126672

CC(=O)Nc1ccnc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
TYK2 P29597 1/20 0.34
DYRK1A Q13627 1/20 0.34
ANO1 Q5XXA6 7/20 0.33
SMYD3 Q9H7B4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
BRAF P15056 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL7127392 0.90 TAS1R3 (0.37) CHRNA7TAS1R3TAS1R1TAS1R2SLC6A2
SCHEMBL7120325 0.87 GRM5 (0.39) CHRNA7TAS1R3TAS1R1TAS1R2SLC6A2
SCHEMBL7117116 0.85 CHRNA7 (0.42) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7121700 0.85 GRM5 (0.37) CHRNA7ANO1TAS1R3TAS1R1TAS1R2
SCHEMBL7125364 0.84 PIK3C3 (0.39) CHRNA7TAS1R3TAS1R1TAS1R2BRAF
SCHEMBL7114457 0.84 HPGDS (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL7116046 0.84 CHRNA7 (0.43) CHRNA7SMYD3
SCHEMBL7124891 0.83 CHRNA7 (0.38) CHRNA7DYRK1ASMYD3TAS1R3TAS1R1
SCHEMBL7127598 0.82 EPHX2 (0.39) CHRNA7
SCHEMBL7122359 0.82 MGLL (0.39) TAS1R3TAS1R1TAS1R2

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 CHRNA7 397/4885TYK2 2243/4885DYRK1A 2600/4885

“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.