Sugi Predict

Sugi Predict / Compounds / SCHEMBL6164640

SCHEMBL6164640

SCHEMBL6164640

COc1cccc(-c2cc(C(=O)N3CCC[C@H]3CO)c3ccccc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.61
▸ WNK1 Q9H4A3 2/20 0.61
▸ KDM4E B2RXH2 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ TP53 P04637 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.56
▸ POLB P06746 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.54
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ PTPN5 P54829 1/20 0.50

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
SCHEMBL6166721 1.00 TRPV1 (0.61) TRPV1WNK1KDM4ELMNASMN1; SMN2
SCHEMBL6164732 1.00 TRPV1 (0.61) TRPV1WNK1KDM4ELMNASMN1; SMN2
SCHEMBL6163856 0.91 RAB9A (0.67) TRPV1KDM4ELMNATP53TSHR
SCHEMBL6165000 0.91 RAB9A (0.67) TRPV1KDM4ELMNATP53TSHR
SCHEMBL6163154 0.91 RAB9A (0.67) TRPV1KDM4ELMNATP53TSHR
SCHEMBL6162631 0.89 TDP1 (0.59) TRPV1WNK1KDM4ELMNATP53
SCHEMBL6166256 0.89 TDP1 (0.59) TRPV1WNK1KDM4ELMNATP53
SCHEMBL6163720 0.89 TDP1 (0.59) TRPV1WNK1KDM4ELMNATP53
SCHEMBL6166073 0.88 TRPV1 (0.57) TRPV1KDM4ELMNASMN1; SMN2TSHR
SCHEMBL6161963 0.88 TRPV1 (0.57) TRPV1KDM4ELMNASMN1; SMN2TSHR

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 1234/4885WNK1 4052/4885KDM4E 613/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 TRPV1 1234/4885WNK1 4052/4885KDM4E 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.