SCHEMBL7122434

SCHEMBL7122434

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.37
HCRTR1 O43613 4/20 0.34
CCR2 P41597 2/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
FAAH O00519 1/20 0.33
EZH2 Q15910 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
SCHEMBL7121223 0.86 CHRNA7 (0.36) CHRNA7CCR2
SCHEMBL7124938 0.85 CHRNB2 (0.43) CHRNA7
SCHEMBL7120754 0.85 CHRNA7 (0.39) CHRNA7SLC6A3EZH2
SCHEMBL7122608 0.84 CHRNA7 (0.34) CHRNA7CCR2SLC6A3
SCHEMBL7120386 0.84 SCN9A (0.43) FAAH
SCHEMBL7124224 0.83 CCR2 (0.37) CHRNA7CCR2
SCHEMBL7114448 0.83 KDR (0.41) HCRTR1
SCHEMBL7122615 0.83 CHRNA7 (0.38) CHRNA7SLC6A3EZH2
SCHEMBL7123895 0.82 MGLL (0.38) CHRNA7HCRTR1CCR2EZH2
SCHEMBL7127607 0.82 CHRNA7 (0.34) CHRNA7CCR2SLC6A3

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 397/4885HCRTR1 881/4885CCR2 48/4885

“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.