SCHEMBL844000

SCHEMBL844000

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2oc(S(=O)(=O)c3ccccc3)cc2cn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.58
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SMYD3 Q9H7B4 6/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL844001 1.00 CHRNA7 (0.58) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843714 0.94 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843715 0.94 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL842426 0.86 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL842425 0.86 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843702 0.86 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6008630 0.85 CHRNA7 (0.56) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843224 0.81 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843225 0.81 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL843750 0.81 CHRNA7 (0.59) CHRNA7HTR3EHTR3BHTR3AHTR3D

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
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP claimed
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 5/4885HTR3E 1519/4885HTR3B 411/4885

“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.