SCHEMBL3032801

SCHEMBL3032801

CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1C

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.72
CYP2D6 P10635 1/20 0.56
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL3025999 0.90 CHRNA7 (0.61) CHRNA7CYP2D6MAPK1POLBALDH1A1
SCHEMBL3020601 0.89 CHRNA7 (0.62) CHRNA7CYP2D6MAPK1POLBALDH1A1
SCHEMBL16403251 0.85 CHRNA7 (0.81) CHRNA7CYP2D6MAPK1ALDH1A1LMNA
SCHEMBL3015623 0.84 CHRNA7 (1.00) CHRNA7CYP2D6
SCHEMBL3020486 0.83 CHRNA7 (0.98) CHRNA7CYP2D6
SCHEMBL3035477 0.82 CHRNA7 (0.78) CHRNA7CYP2D6MAPK1
SCHEMBL3027578 0.80 CHRNA7 (0.77) CHRNA7CYP2D6MAPK1ALDH1A1LMNA
SCHEMBL2888752 0.79 CHRNA7 (0.72) CHRNA7MAPK1POLBALDH1A1LMNA
SCHEMBL5922342 0.79 CHRNA7 (0.72) CHRNA7MAPK1POLBALDH1A1LMNA
SCHEMBL19808409 0.79 CHRNA7 (0.74) CHRNA7CYP2D6MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US claimed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US 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
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 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 (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 253/4885MAPK1 4366/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS CHRNA7 4801/4885CYP2D6 253/4885MAPK1 4366/4885

“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.