SCHEMBL6392138

SCHEMBL6392138

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2c[nH]cc2c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.67
DRD4 P21917 4/20 0.42
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
SMYD3 Q9H7B4 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6392146 1.00 CHRNA7 (0.67) CHRNA7DRD4SLC6A12SLC6A13HTR3E
SCHEMBL6098251 0.86 CHRNA7 (0.68) CHRNA7DRD4SLC6A12SLC6A13
SCHEMBL6098257 0.86 CHRNA7 (0.68) CHRNA7DRD4SLC6A12SLC6A13
SCHEMBL6099507 0.86 CHRNA7 (0.76) CHRNA7DRD4SLC6A12SLC6A13HTR3E
SCHEMBL6099501 0.86 CHRNA7 (0.76) CHRNA7DRD4SLC6A12SLC6A13HTR3E
SCHEMBL6100991 0.84 CHRNA7 (0.65) CHRNA7DRD4SLC6A12SLC6A13
SCHEMBL6396720 0.84 CHRNA7 (0.69) CHRNA7DRD4SLC6A12SLC6A13HTR3E
SCHEMBL6100994 0.84 CHRNA7 (0.65) CHRNA7DRD4SLC6A12SLC6A13
SCHEMBL6396713 0.84 CHRNA7 (0.69) CHRNA7DRD4SLC6A12SLC6A13HTR3E
SCHEMBL6488622 0.83 CHRNA7 (0.65) CHRNA7HTR3ASMYD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US claimed
US-6849620-B2 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PFIZER INC (US) 2005-02-01 US disclosed
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 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-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease CYP1B1, ABCB1, NAT1 CHRNA7 1187/4885DRD4 2082/4885SLC6A12 2378/4885

“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.