SCHEMBL3186142

SCHEMBL3186142

CC(C)(C)c1ccc(Cn2ccc3cc(NC(=O)N[C@@H](Cc4ccccc4)C(=O)O)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 11/20 0.53
EPHX2 P34913 3/20 0.52
KCNQ3 O43525 2/20 0.52
KCNQ2 O43526 2/20 0.52
KCNQ4 P56696 2/20 0.52
KCNQ5 Q9NR82 2/20 0.52
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL27718316 1.00 FPR2 (0.53) FPR2EPHX2KCNQ3KCNQ2KCNQ4
SCHEMBL3204698 0.83 NR1I2 (0.53) EPHX2NR1H4
SCHEMBL3183962 0.79 EPHX2 (0.63) EPHX2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL15601409 0.79 KCNQ3 (0.65) EPHX2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3193084 0.77 NTSR1 (0.59)
SCHEMBL3328211 0.77 NTSR1 (0.59)
SCHEMBL3193347 0.75 CA2 (0.49)
SCHEMBL6085966 0.74 KCNQ3 (0.55) EPHX2KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL3193462 0.73 SERPINE1 (0.53)
SCHEMBL3195444 0.73 NR1I2 (0.63) EPHX2KCNQ3KCNQ2KCNQ4KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US claimed
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US claimed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 WO claimed
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US disclosed
US-7683091-B2 Substituted indoles and methods of their use WYETH (US) 2010-03-23 US disclosed
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US disclosed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 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-20070043101-A1 Substituted indoles and methods of their use INMT, AANAT, IDO2 FPR2 1575/4885EPHX2 1420/4885KCNQ3 2667/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 FPR2 1575/4885EPHX2 1420/4885KCNQ3 2667/4885

“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.