SCHEMBL6162262

SCHEMBL6162262

O=C(c1cc(-c2ccc(F)cc2)nc2ccc(F)cc12)N1CCC[C@@H]1CO

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.51
SLC22A12 Q96S37 2/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HCRTR1 O43613 5/20 0.46
HCRTR2 O43614 5/20 0.46
PLA2G2A P14555 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.45
FPR2 P25090 1/20 0.44
SCN9A Q15858 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
NAMPT P43490 1/20 0.44
APOL1 O14791 1/20 0.43

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
SCHEMBL6162326 1.00 DHODH (0.51) DHODHSLC22A12KDM4EALDH1A1GAA
SCHEMBL6164238 1.00 DHODH (0.51) DHODHSLC22A12KDM4EALDH1A1GAA
SCHEMBL6163103 0.95 DHODH (0.56) DHODHSLC22A12KDM4EALDH1A1GAA
SCHEMBL6163110 0.95 DHODH (0.56) DHODHSLC22A12KDM4EALDH1A1GAA
SCHEMBL6165980 0.95 DHODH (0.56) DHODHSLC22A12KDM4EALDH1A1GAA
SCHEMBL6163092 0.92 SLC22A12 (0.46) DHODHSLC22A12KDM4EALDH1A1GAA
SCHEMBL6163696 0.92 SLC22A12 (0.46) DHODHSLC22A12KDM4EALDH1A1GAA
SCHEMBL6165298 0.92 SLC22A12 (0.46) DHODHSLC22A12KDM4EALDH1A1GAA
SCHEMBL6161778 0.92 KDM4E (0.59) DHODHKDM4EALDH1A1GAAHCRTR1
SCHEMBL6163206 0.92 KDM4E (0.59) DHODHKDM4EALDH1A1GAAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed
US-20040048867-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2004-03-11 US claimed
EP-1337523-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2003-08-27 EP claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 US claimed
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 US claimed
WO-2002014269-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2002-02-21 WO claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 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-20020161008-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 DHODH 2235/4885SLC22A12 1824/4885KDM4E 613/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 DHODH 2235/4885SLC22A12 1824/4885KDM4E 613/4885

“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.