SCHEMBL7120625

SCHEMBL7120625

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cc(C(F)(F)F)co2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.36
CCR3 P51677 3/20 0.35
CHRNA7 P36544 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
ADRB2 P07550 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
GLP1R P43220 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL7123960 0.85 CHRNA7 (0.35) CHRNA7TAS1R3TAS1R1TAS1R2
SCHEMBL7116310 0.85 CHRNA7 (0.35) CHRNA7TAS1R3TAS1R1TAS1R2
SCHEMBL7121747 0.84 CHRNA7 (0.35) CHRNA7
SCHEMBL7120607 0.83 SLC6A2 (0.37) CHRNA7
SCHEMBL7121884 0.83 EPHX2 (0.40) CHRNA7DRD3
SCHEMBL7115168 0.82 CHRNA7 (0.35) CCR2CCR3CHRNA7
SCHEMBL7114485 0.82 CHRNA7 (0.35) CHRNA7
SCHEMBL7124224 0.82 CCR2 (0.37) CCR2CCR3CHRNA7TAS1R3TAS1R1
SCHEMBL7125072 0.82 CCR2 (0.37) CCR2CCR3CHRNA7TAS1R3TAS1R1
SCHEMBL7118041 0.81 SCN9A (0.39) CCR2TAS1R3TAS1R1TAS1R2

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 CCR2 48/4885CCR3 207/4885CHRNA7 397/4885

“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.