SCHEMBL4881385

SCHEMBL4881385

CCC(CC)Oc1cc(C)c(-c2ccc(C(F)(F)F)cc2OC)[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.37
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
SCN9A Q15858 4/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
SCN5A Q14524 1/20 0.33
CTSA P10619 1/20 0.33

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
SCHEMBL4881349 0.86 CRHR1 (0.43) CRHR1SCN9ACTSA
SCHEMBL6601464 0.82 CNR1 (0.38) CRHR1PTGDR2SCN9A
SCHEMBL4886350 0.74 CRHR1 (0.40) CRHR1PTGDR2AKR1C3AKR1C2SCN9A
SCHEMBL6603350 0.69 FFAR4 (0.38) CRHR1SCN9ACTSA
SCHEMBL5430558 0.67 CRHR1 (0.55) CRHR1SCN9AALOX5APFEN1
SCHEMBL5437714 0.67 CRHR1 (0.60) CRHR1SCN9AALOX5APFEN1
SCHEMBL5404052 0.65 CRHR1 (0.66) CRHR1SCN9AALOX5APFEN1
SCHEMBL5447482 0.65 CRHR1 (0.63) CRHR1SCN9A
SCHEMBL7060802 0.64 SLC6A4 (0.45)
SCHEMBL5541152 0.63 S1PR1 (0.46) CRHR1AKR1C3AKR1C2SCN9AALOX5AP

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 4 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
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 (1 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-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C CRHR1 2/4885PTGDR2 369/4885AKR1C3 2938/4885

“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.