SCHEMBL7124945

SCHEMBL7124945

CNc1ccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR3E A5X5Y0 3/20 0.34
HTR3B O95264 3/20 0.34
HTR3A P46098 3/20 0.34
HTR3D Q70Z44 3/20 0.34
HTR3C Q8WXA8 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
HTT P42858 2/20 0.34
ABL1 P00519 1/20 0.34
MAPT P10636 1/20 0.34
RIN1 Q13671 1/20 0.34
CYP2D6 P10635 1/20 0.34
SSTR3 P32745 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
TAS1R1 Q7RTX1 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
SCHEMBL7116903 0.89 MAPT (0.40) CHRNA7MEN1KMT2AHTTABL1
SCHEMBL7114472 0.87 CHRNA7 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7119235 0.86 CYP2A6 (0.43) CHRNA7DRD4
SCHEMBL7121745 0.85 CHRNB2 (0.40) CHRNA7SSTR3SMYD3DRD4
SCHEMBL6098344 0.85 CHRNB4 (0.39) CHRNA7MEN1KMT2AHTR3EHTR3B
SCHEMBL6100330 0.84 SSTR3 (0.47) SSTR3DRD4
SCHEMBL7124881 0.84 SLC6A2 (0.44) CHRNA7SSTR3TAS1R3TAS1R2SMYD3
SCHEMBL7121774 0.84 CHRNA7 (0.36) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7124032 0.84 SSTR3 (0.45) CHRNA7SSTR3TAS1R3TAS1R2TAS1R1
SCHEMBL7121130 0.84 SLC6A3 (0.40) CHRNA7SSTR3SMYD3

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 397/4885MEN1 2572/4885KMT2A 1264/4885

“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.