Sugi Predict

Sugi Predict / Compounds / SCHEMBL6161799

SCHEMBL6161799

SCHEMBL6161799

COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3CO)c3cc(Cl)ccc3n2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.44
▸ PLA2G2A P14555 1/20 0.44
▸ HCRTR1 O43613 2/20 0.43
▸ HCRTR2 O43614 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SPHK1 Q9NYA1 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL6163055 1.00 TRPV1 (0.44) TRPV1PLA2G2AHCRTR1HCRTR2MAPT
SCHEMBL6162249 1.00 TRPV1 (0.44) TRPV1PLA2G2AHCRTR1HCRTR2MAPT
SCHEMBL6163699 0.89 POLB (0.55) TRPV1HCRTR1HCRTR2MAPTPOLB
SCHEMBL6163817 0.89 POLB (0.55) TRPV1HCRTR1HCRTR2MAPTPOLB
SCHEMBL6165715 0.89 POLB (0.55) TRPV1HCRTR1HCRTR2MAPTPOLB
SCHEMBL6161806 0.85 TRPV1 (0.46) TRPV1HCRTR1HCRTR2MAPTPOLB
SCHEMBL6163596 0.85 TRPV1 (0.46) TRPV1HCRTR1HCRTR2MAPTPOLB
SCHEMBL6162253 0.85 TRPV1 (0.46) TRPV1HCRTR1HCRTR2MAPTPOLB
SCHEMBL6163166 0.81 RAB9A (0.53) HCRTR1HCRTR2POLBKDM4EHSP90AA1
SCHEMBL6162969 0.81 RAB9A (0.53) HCRTR1HCRTR2POLBKDM4EHSP90AA1

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 TRPV1 1234/4885PLA2G2A 1847/4885HCRTR1 81/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 TRPV1 1234/4885PLA2G2A 1847/4885HCRTR1 81/4885

“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.