SCHEMBL843479

SCHEMBL843479

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.56
HTR3A P46098 2/20 0.33
CHRNB2 P17787 4/20 0.32
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA4 P43681 4/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
F2R P25116 1/20 0.31
DRD4 P21917 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
SCHEMBL843478 1.00 CHRNA7 (0.56) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL844124 0.88 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844125 0.88 CHRNA7 (0.59) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844159 0.86 CHRNA7 (0.40) CHRNA7HTR3A
SCHEMBL844503 0.86 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843823 0.86 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL844504 0.86 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL843824 0.86 CHRNA7 (0.61) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL842930 0.85 CHRNA7 (0.58) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL842929 0.85 CHRNA7 (0.58) CHRNA7HTR3ACHRNB2CHRNB4CHRNA3

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 8 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-6911543-B2 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PFIZER INC. (US) 2005-06-28 US claimed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US 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-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC. 2005-10-06 US disclosed
US-6911543-B2 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PFIZER INC. (US) 2005-06-28 US disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 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-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CHRNA7 5/4885HTR3A 783/4885CHRNB2 85/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 CHRNA7 1401/4885HTR3A 2224/4885CHRNB2 1837/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CHRNA7 5/4885HTR3A 783/4885CHRNB2 85/4885

“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.