SCHEMBL7121774

SCHEMBL7121774

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2ccc(S)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.36
SSTR3 P32745 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
DRD4 P21917 1/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
HTR3E A5X5Y0 3/20 0.33
HTR3B O95264 3/20 0.33
HTR3A P46098 3/20 0.33
HTR3D Q70Z44 3/20 0.33
HTR3C Q8WXA8 3/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CYP2D6 P10635 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
SCHEMBL6098344 0.87 CHRNB4 (0.39) CHRNA7SSTR3SMYD3DRD4SLC6A12
SCHEMBL7121745 0.87 CHRNB2 (0.40) CHRNA7SSTR3SMYD3DRD4SLC6A12
SCHEMBL6100330 0.86 SSTR3 (0.47) SSTR3DRD4SLC6A12SLC6A13
SCHEMBL7119235 0.86 CYP2A6 (0.43) CHRNA7DRD4
SCHEMBL7124032 0.86 SSTR3 (0.45) CHRNA7SSTR3
SCHEMBL6102157 0.86 F10 (0.45) CHRNA7SSTR3DRD4HTR3EHTR3B
SCHEMBL7121130 0.86 SLC6A3 (0.40) CHRNA7SSTR3SMYD3
SCHEMBL7125111 0.86 DRD4 (0.40) CHRNA7SSTR3SMYD3DRD4
SCHEMBL7119257 0.86 SMYD3 (0.51) CHRNA7SSTR3SMYD3DRD4SLC6A12
Hydrochloric Acid SCHEMBL7126791 0.85 SSTR3 (0.46) SSTR3DRD4SLC6A12SLC6A13

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 397/4885SSTR3 989/4885SMYD3 4155/4885

“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.