SCHEMBL843517

SCHEMBL843517

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2c(S(=O)(=O)c3ccccc3)csc2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.57
ACHE P22303 1/20 0.37
SMYD3 Q9H7B4 6/20 0.36
USP30 Q70CQ3 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HTR3A P46098 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 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
SCHEMBL843518 1.00 CHRNA7 (0.57) CHRNA7ACHESMYD3USP30CA12
SCHEMBL842782 0.87 CHRNA7 (0.59) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL842781 0.87 CHRNA7 (0.59) CHRNA7SMYD3HTR3AHTR3EHTR3B
SCHEMBL6007025 0.84 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843366 0.83 CHRNA7 (0.59) CHRNA7SMYD3CA12CA1CA2
SCHEMBL843367 0.83 CHRNA7 (0.59) CHRNA7SMYD3CA12CA1CA2
SCHEMBL843059 0.82 CHRNA7 (0.58) CHRNA7USP30HTR3AHTR3EHTR3B
SCHEMBL843060 0.82 CHRNA7 (0.58) CHRNA7USP30HTR3AHTR3EHTR3B
SCHEMBL843385 0.81 CHRNA7 (0.64) CHRNA7USP30HTR3AHTR3EHTR3B
SCHEMBL844481 0.81 CHRNA7 (0.64) CHRNA7USP30HTR3AHTR3EHTR3B

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 5/4885ACHE 393/4885SMYD3 3529/4885

“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.