SCHEMBL4881878

SCHEMBL4881878

CC(C)c1[c]c(CO)ncc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5619501 0.71 KDM4E (0.32)
SCHEMBL18529873 0.71
SCHEMBL3834708 0.69
SCHEMBL4878178 0.67 NOS3 (0.34)
SCHEMBL15417378 0.61 ALDH1A1 (0.38) GABRA1GABRG2GABRB3ALDH1A1L3MBTL1
SCHEMBL5102672 0.59 RECQL (0.52) GABRA1GABRG2GABRB3
SCHEMBL16815429 0.59 CCR1 (0.39) GABRA1GABRG2GABRB3
SCHEMBL5108681 0.59 JAK2 (0.46) ALDH1A1
SCHEMBL12985841 0.59 SORD (0.46)
SCHEMBL60696 0.59 GABRA1 (0.38) GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
EP-1392302-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2004-03-03 EP disclosed
US-20030152520-A1 5-Substituted-2-arylpyridines NEUROGEN CORPORATION 2003-08-14 US disclosed
WO-2002096421-A1 5-SUBSTITUTED-2-ARYLPYRIDINES AS CRF1 MODULATORS NEUROGEN CORPORATION (US) 2002-12-05 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-20030152520-A1 5-Substituted-2-arylpyridines HTR5A, CRHR2, HTR2C GABRA1 357/4885GABRG2 582/4885GABRB3 405/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C GABRA1 533/4885GABRG2 1000/4885GABRB3 689/4885

“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.