SCHEMBL3021691

SCHEMBL3021691

CCC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(S(C)(=O)=O)c2)c1C

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.67
CYP2D6 P10635 1/20 0.67
PTGS2 P35354 3/20 0.47

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
SCHEMBL3020073 0.88 CHRNA7 (0.54) CHRNA7CYP2D6PTGS2
SCHEMBL3019756 0.88 CHRNA7 (0.54) CHRNA7CYP2D6PTGS2
SCHEMBL3030712 0.88 CHRNA7 (0.68) CHRNA7CYP2D6PTGS2
SCHEMBL3036106 0.87 CHRNA7 (0.67) CHRNA7CYP2D6PTGS2
SCHEMBL3025412 0.82 CHRNA7 (0.48) CHRNA7CYP2D6PTGS2
SCHEMBL3032457 0.82 CHRNA7 (0.47) CHRNA7CYP2D6PTGS2
SCHEMBL3030321 0.81 CHRNA7 (0.55) CHRNA7CYP2D6PTGS2
SCHEMBL27767257 0.81 CHRNA7 (0.44) CHRNA7CYP2D6PTGS2
SCHEMBL1459705 0.81 CHRNA7 (1.00) CHRNA7CYP2D6
SCHEMBL3028680 0.80 CHRNA7 (0.56) CHRNA7PTGS2

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 253/4885PTGS2 69/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS CHRNA7 4801/4885CYP2D6 253/4885PTGS2 69/4885

“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.