SCHEMBL7124895

SCHEMBL7124895

CNc1cccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.36
NQO2 P16083 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 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
SCHEMBL7122552 0.92 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3HTR3EHTR3B
SCHEMBL7116447 0.90 PLAU (0.39) PLAUNQO2KDM4EALDH1A1CYP1A2
SCHEMBL7124039 0.88 CHRNA7 (0.33) PLAUKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7122443 0.87 KDM2B (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL7120701 0.86 SMYD3 (0.38) CHRNA7
SCHEMBL7126600 0.85 GRM5 (0.39) CHRNA7
SCHEMBL7123321 0.85 GRM5 (0.37) TRPV1CHRNA7
SCHEMBL7114386 0.85 SLC6A3 (0.38) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL6100290 0.85 SSTR3 (0.40) SLC6A4SLC6A3TRPV1
SCHEMBL7124887 0.85 GRM5 (0.37) PLAUCHRNA7

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 PLAU 4650/4885NQO2 233/4885KDM4E 392/4885

“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.