SCHEMBL843225

SCHEMBL843225

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2sc(S(=O)(=O)c3ccccc3)cc2cn1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.62
SMYD3 Q9H7B4 6/20 0.37
USP30 Q70CQ3 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
HTR3C Q8WXA8 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
SCHEMBL843224 1.00 CHRNA7 (0.62) CHRNA7SMYD3USP30HTR3EHTR3B
SCHEMBL844079 0.86 CHRNA7 (0.65) CHRNA7SMYD3HTR3EHTR3BHTR3A
SCHEMBL844080 0.86 CHRNA7 (0.65) CHRNA7SMYD3HTR3EHTR3BHTR3A
SCHEMBL6008210 0.84 CHRNA7 (0.52) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL842719 0.81 CHRNA7 (0.64) CHRNA7USP30HTR3EHTR3BHTR3A
SCHEMBL842718 0.81 CHRNA7 (0.64) CHRNA7USP30HTR3EHTR3BHTR3A
SCHEMBL844001 0.81 CHRNA7 (0.58) CHRNA7SMYD3USP30HTR3EHTR3B
SCHEMBL844000 0.81 CHRNA7 (0.58) CHRNA7SMYD3USP30HTR3EHTR3B
SCHEMBL843727 0.81 CHRNA7 (0.71) CHRNA7SMYD3USP30HTR3EHTR3B
SCHEMBL843728 0.81 CHRNA7 (0.71) CHRNA7SMYD3USP30HTR3EHTR3B

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
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP claimed
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC. 2005-10-06 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-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CHRNA7 5/4885SMYD3 3529/4885USP30 3782/4885

“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.