SCHEMBL5233301

SCHEMBL5233301

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2c(Br)csc2cn1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.32
HTR3A P46098 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL14608865 0.80 CHRNA7 (0.32) CHRNA7HTR3A
SCHEMBL5229421 0.80 CHRNA7 (0.37) CHRNA7HTR3A
SCHEMBL5228643 0.80 CHRNA7 (0.52) CHRNA7HTR3ASCN9A
SCHEMBL5918030 0.79 GABRP (0.45) CHRNA7HTR3A
SCHEMBL5918031 0.78 SMYD3 (0.36) CHRNA7HTR3ASCN9A
SCHEMBL5226666 0.77 CHRNA7 (0.55) CHRNA7HTR3A
SCHEMBL5918024 0.75 CHRNA7 (0.54) CHRNA7HTR3A
SCHEMBL6007294 0.75 CHRNA7 (0.54) CHRNA7HTR3A
SCHEMBL6098954 0.74 CHRNB2 (0.36) CHRNA7
SCHEMBL6101865 0.74 CHRNB2 (0.36) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP claimed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US claimed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US claimed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 US claimed
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists PFIZER INC 2006-01-26 US disclosed
US-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CORBETT JEFFREY W 2005-11-03 US disclosed
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder PFIZER INC 2005-05-19 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 (3 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-20050245504-A1 Treatment of diseases with combinations of alpha 7 Nicotinic Acetylcholine Receptor agonists and other compounds CHRNA7, CHRNG, CHRNE CHRNA7 1/4885HTR3A 497/4885SCN9A 362/4885
US-20060019984-A1 Treatment of diseases with alpha-7nACh receptor full agonists CHRNA7, CHRNA1, CHRNG CHRNA7 1/4885HTR3A 426/4885SCN9A 401/4885
US-20050107425-A1 Treatment of attention defecit hyperactivity disorder CHRNA7, CHRNA10, SLC18A3 CHRNA7 1/4885HTR3A 32/4885SCN9A 352/4885

“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.