SCHEMBL7124222

SCHEMBL7124222

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2c(C(F)(F)F)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.40
TAS1R1 Q7RTX1 5/20 0.40
TAS1R2 Q8TE23 5/20 0.40
CHRNA7 P36544 2/20 0.38
DRD4 P21917 2/20 0.36
GRM5 P41594 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR2 P41597 2/20 0.34

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
SCHEMBL7116055 0.92 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2CHRNA7DRD4
SCHEMBL7116435 0.86 GRM5 (0.39) TAS1R3TAS1R1TAS1R2GRM5
SCHEMBL7115114 0.86 GRM5 (0.37) GRM5
SCHEMBL7120687 0.85 KDM2B (0.39) GRM5
SCHEMBL7124744 0.84 DRD4 (0.39) DRD4GRM5
SCHEMBL7126777 0.84 SLC9A1 (0.42) CHRNA7DRD4GRM5
SCHEMBL6101324 0.84 CYP2C9 (0.37) CHRNA7GRM5
SCHEMBL7120585 0.84 SLC6A3 (0.38) CHRNA7GRM5
SCHEMBL6099256 0.84 SSTR3 (0.40) TAS1R3TAS1R1TAS1R2GRM5
SCHEMBL6100743 0.83 SLC6A2 (0.34) GRM5

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 TAS1R3 4742/4885TAS1R1 4566/4885TAS1R2 4436/4885

“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.