SCHEMBL6099745

SCHEMBL6099745

O=C(NC1CN2CC[C@H]1C2)c1cc(Cl)c(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.49
CHRNA7 P36544 5/20 0.49
HTR3E A5X5Y0 4/20 0.49
HTR3B O95264 4/20 0.49
HTR3D Q70Z44 4/20 0.49
HTR3C Q8WXA8 4/20 0.49
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
NTRK1 P04629 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
SCHEMBL6101358 0.94 CHRNA7 (0.55) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6098904 0.91 HTR3A (0.49) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6098756 0.88 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6099959 0.86 CHRNA7 (0.55) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6100869 0.86 CHRNA7 (0.50) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6101655 0.85 HTR3A (0.52) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6100681 0.84 HTR3A (0.53) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6100858 0.83 HTR3A (0.52) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6099969 0.82 CHRNA7 (0.56) HTR3ACHRNA7HTR3EHTR3BHTR3D
SCHEMBL6098440 0.82 HTR3A (0.53) HTR3ACHRNA7HTR3EHTR3BHTR3D

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-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 HTR3A 3325/4885CHRNA7 1836/4885HTR3E 4210/4885

“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.