SCHEMBL7115105

SCHEMBL7115105

CC#Cc1ccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
EPHX2 P34913 1/20 0.34
CHRNA7 P36544 1/20 0.33
SSTR3 P32745 1/20 0.33
DRD4 P21917 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R2 Q8TE23 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
SCHEMBL7124919 0.88 MELK (0.36) SLC6A2SLC6A4SLC6A3EPHX2CHRNA7
SCHEMBL6100339 0.87 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SMYD3EPHX2
SCHEMBL6099892 0.87 EPHX2 (0.45) EPHX2
SCHEMBL7119235 0.83 CYP2A6 (0.43) SLC6A2SLC6A4SLC6A3CHRNA7DRD4
SCHEMBL7119257 0.83 SMYD3 (0.51) SMYD3CHRNA7SSTR3DRD4
SCHEMBL7121745 0.82 CHRNB2 (0.40) SMYD3CHRNA7SSTR3DRD4
SCHEMBL6098344 0.82 CHRNB4 (0.39) SMYD3CHRNA7SSTR3DRD4
SCHEMBL6100330 0.82 SSTR3 (0.47) SSTR3DRD4
SCHEMBL7124945 0.81 CHRNA7 (0.37) SMYD3CHRNA7SSTR3DRD4TAS1R3
SCHEMBL7124881 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3SMYD3CHRNA7

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 SLC6A2 1156/4885SLC6A4 2137/4885SLC6A3 2265/4885

“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.