SCHEMBL4882706

SCHEMBL4882706

CCc1cncc(OC(CC)CC)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
GGPS1 O95749 2/20 0.35
GRM2 Q14416 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GPR55 Q9Y2T6 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL17828136 0.83 CHRNB2 (0.44) CHRNB2CHRNA4GGPS1CYP11B1CYP11B2
SCHEMBL17828152 0.81 GRIN1 (0.41) CHRNB2CHRNA4GGPS1GRIN1GRIN2B
SCHEMBL4882857 0.78 CHRNB2 (0.47) CHRNB2CHRNA4
SCHEMBL3062451 0.78 MCHR1 (0.35) CHRNB2CHRNA4
SCHEMBL21103558 0.76 CHRNB2 (0.33) CHRNB2CHRNA4GRM2CYP11B1CYP11B2
SCHEMBL91481 0.76 CYP11B1 (0.46) CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL8184696 0.75 CHRNB2 (0.51) CHRNB2CHRNA4GGPS1CYP11B1CYP11B2
SCHEMBL2215868 0.73 CHRNB2 (0.43) CHRNB2CHRNA4GGPS1CYP11B1CYP11B2
SCHEMBL14030004 0.73 CHRNB2 (0.44) CHRNB2CHRNA4
SCHEMBL14029995 0.73 CHRNB2 (0.44) CHRNB2CHRNA4

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-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
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
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 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 CHRNB2 283/4885CHRNA4 193/4885GGPS1 3811/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CHRNB2 298/4885CHRNA4 170/4885GGPS1 3378/4885

“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.