SCHEMBL7122443

SCHEMBL7122443

Cc1cccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.41
DRD4 P21917 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
MAPK14 Q16539 3/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK11 Q15759 1/20 0.35

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
SCHEMBL7124744 0.91 DRD4 (0.39) DRD4RAB9ANPC1SLC6A2SLC6A4
SCHEMBL7120701 0.88 SMYD3 (0.38)
SCHEMBL7124895 0.87 PLAU (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL7123321 0.87 GRM5 (0.37)
SCHEMBL6100290 0.87 SSTR3 (0.40) TAS1R3TAS1R1TAS1R2SLC6A4SLC6A3
SCHEMBL7126600 0.87 GRM5 (0.39) TAS1R3TAS1R1TAS1R2
SCHEMBL7124887 0.87 GRM5 (0.37) DRD4
SCHEMBL7120785 0.87 PLAU (0.42)
SCHEMBL7114386 0.87 SLC6A3 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL6099344 0.86 TAS1R3 (0.40) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3

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 KDM2B 648/4885DRD4 2360/4885TAS1R3 4742/4885

“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.