SCHEMBL7124032

SCHEMBL7124032

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.45
GRM5 P41594 5/20 0.41
SLC6A3 Q01959 1/20 0.40
CCR3 P51677 3/20 0.39
CHRNA7 P36544 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38

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) SSTR3CHRNA7
SCHEMBL7121745 0.87 CHRNB2 (0.40) SSTR3CHRNA7
SCHEMBL6100330 0.86 SSTR3 (0.47) SSTR3
SCHEMBL7119235 0.86 CYP2A6 (0.43) SLC6A3CHRNA7
SCHEMBL7119257 0.86 SMYD3 (0.51) SSTR3CHRNA7
SCHEMBL7121774 0.86 CHRNA7 (0.36) SSTR3CHRNA7
SCHEMBL6102157 0.86 F10 (0.45) SSTR3GRM5SLC6A3CHRNA7TAS1R3
SCHEMBL7125111 0.86 DRD4 (0.40) SSTR3CHRNA7
SCHEMBL7121130 0.86 SLC6A3 (0.40) SSTR3SLC6A3CHRNA7
Hydrochloric Acid SCHEMBL7126791 0.85 SSTR3 (0.46) SSTR3

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 SSTR3 989/4885GRM5 2824/4885SLC6A3 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.