SCHEMBL7124206

SCHEMBL7124206

Cc1cncc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.41
CHRNA7 P36544 1/20 0.38
EZH2 Q15910 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
BRD4 O60885 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
RIPK2 O43353 1/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7115037 0.89 CHRNA7 (0.38) SMYD3CHRNA7EZH2TAS1R3TAS1R1
SCHEMBL7127357 0.88 SMYD3 (0.41) SMYD3CHRNA7EZH2SLC6A4SLC6A3
SCHEMBL7116911 0.87 SLC6A2 (0.37) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7124891 0.86 CHRNA7 (0.38) SMYD3CHRNA7EZH2TAS1R3TAS1R1
SCHEMBL7124224 0.85 CCR2 (0.37) CHRNA7TAS1R3TAS1R1TAS1R2RIPK2
SCHEMBL7127540 0.85 EPHX2 (0.40) CHRNA7SLC6A2SLC6A4SLC6A3NPC1
SCHEMBL7120754 0.84 CHRNA7 (0.39) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7116048 0.83 HPGD (0.46) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7125206 0.82 EZH2 (0.41) SMYD3EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7123867 0.82 CHRNA7 (0.38) CHRNA7EZH2TAS1R3TAS1R1TAS1R2

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 SMYD3 4155/4885CHRNA7 397/4885EZH2 462/4885

“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.