SCHEMBL7122575

SCHEMBL7122575

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccnc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
TAS1R2 Q8TE23 3/20 0.43
CHRNA7 P36544 4/20 0.38
CHRNB2 P17787 6/20 0.34
CHRNA4 P43681 6/20 0.34
EZH2 Q15910 1/20 0.34
GRM5 P41594 5/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
HPGD P15428 1/20 0.33
CHRND Q07001 1/20 0.33
CHRNA2 Q15822 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL7123867 0.88 CHRNA7 (0.38) TAS1R3TAS1R1TAS1R2CHRNA7EZH2
SCHEMBL7117129 0.87 CHRNA7 (0.37) TAS1R3TAS1R1TAS1R2CHRNA7CHRNB2
SCHEMBL7124938 0.86 CHRNB2 (0.43) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7119268 0.85 CTSC (0.38) TAS1R3TAS1R1TAS1R2CHRNA7CHRNB2
SCHEMBL7121223 0.85 CHRNA7 (0.36) TAS1R3TAS1R1TAS1R2CHRNA7
SCHEMBL7126739 0.85 EGLN1 (0.39) CHRNA7
SCHEMBL7121700 0.85 GRM5 (0.37) TAS1R3TAS1R1TAS1R2CHRNA7GRM5
SCHEMBL7123508 0.85 TRPV1 (0.44) CHRNA7EZH2ALDH1A1MEN1KMT2A
SCHEMBL7125364 0.84 PIK3C3 (0.39) TAS1R3TAS1R1TAS1R2CHRNA7EZH2
SCHEMBL7127459 0.83 CHRNA7 (0.43) CHRNA7EZH2GRM5

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.