SCHEMBL7120325

SCHEMBL7120325

Cc1ccnc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
TAS1R2 Q8TE23 3/20 0.35
CHRNA7 P36544 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
EZH2 Q15910 1/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 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 0.89 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2CHRNA7SLC6A2
SCHEMBL7121700 0.88 GRM5 (0.37) GRM5TAS1R3TAS1R1TAS1R2CHRNA7
SCHEMBL7114457 0.87 HPGDS (0.36) GRM5SLC6A2SLC6A4SLC6A3
SCHEMBL7126672 0.87 CHRNA7 (0.35) TAS1R3TAS1R1TAS1R2CHRNA7SLC6A2
SCHEMBL7122359 0.85 MGLL (0.39) TAS1R3TAS1R1TAS1R2
SCHEMBL7127598 0.85 EPHX2 (0.39) GRM5CHRNA7RAB9ANPC1
SCHEMBL7123867 0.85 CHRNA7 (0.38) TAS1R3TAS1R1TAS1R2CHRNA7SLC6A2
SCHEMBL7115118 0.85 CHEK2 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7124968 0.84 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7126739 0.82 EGLN1 (0.39) CHRNA7SLC6A2SLC6A4SLC6A3

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 GRM5 2824/4885TAS1R3 4742/4885TAS1R1 4566/4885

“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.