SCHEMBL3029112

SCHEMBL3029112

CCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.73
CYP2D6 P10635 1/20 0.73
CA1 P00915 10/20 0.66
CA2 P00918 10/20 0.66
CA9 Q16790 10/20 0.66

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
SCHEMBL3031869 0.94 CHRNA7 (0.70) CHRNA7CYP2D6CA1CA2CA9
SCHEMBL3032520 0.90 CA1 (0.70) CHRNA7CYP2D6CA1CA2CA9
SCHEMBL3030310 0.89 CHRNA7 (0.64) CHRNA7CYP2D6CA1CA2CA9
SCHEMBL3026298 0.88 CA1 (0.83) CHRNA7CYP2D6CA1CA2CA9
SCHEMBL3030938 0.87 CHRNA7 (0.74) CHRNA7CYP2D6CA1CA2CA9
SCHEMBL3031758 0.85 CHRNA7 (0.67) CHRNA7CYP2D6CA1CA2CA9
SCHEMBL1459705 0.84 CHRNA7 (1.00) CHRNA7CYP2D6
SCHEMBL3029110 0.84 CHRNA7 (0.73) CHRNA7CYP2D6CA1CA2CA9
SCHEMBL3025893 0.83 CHRNA7 (0.83) CHRNA7CYP2D6CA1CA2CA9
SCHEMBL3015623 0.82 CHRNA7 (1.00) CHRNA7CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US claimed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US claimed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US claimed
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP claimed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US claimed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO claimed
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US disclosed
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO 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 (2 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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS CHRNA7 4801/4885CYP2D6 253/4885CA1 2955/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS CHRNA7 4801/4885CYP2D6 253/4885CA1 2955/4885

“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.