Sugi Predict

Sugi Predict / Compounds / SCHEMBL2944005

SCHEMBL2944005

SCHEMBL2944005

COC(=O)[C@H]1CC[C@H](N2CCOCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ WNT1 P04628 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL2944007 1.00 TP53 (0.45) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL28616258 0.90 TP53 (0.39) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL1700365 0.90 TP53 (0.39) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL1700363 0.90 TP53 (0.39) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL24107443 0.84 CHRNB2 (0.42) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL25770092 0.84 CHRNB2 (0.42) TP53SMN1; SMN2L3MBTL3L3MBTL1LMNA
SCHEMBL2942042 0.84 SMN1; SMN2 (0.50) TP53SMN1; SMN2L3MBTL3L3MBTL1POLB
SCHEMBL3274422 0.84 SMN1; SMN2 (0.50) TP53SMN1; SMN2L3MBTL3L3MBTL1POLB
SCHEMBL2942040 0.84 SMN1; SMN2 (0.50) TP53SMN1; SMN2L3MBTL3L3MBTL1POLB
SCHEMBL21851141 0.83 TP53 (0.56) TP53SMN1; SMN2POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 — — CN disclosed
EP-3724192-B1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2022-08-03 — — EP disclosed
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists RICHTER GEDEON NYRT. (HU) 2022-04-12 — — US disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 — — CN disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 — — US disclosed
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 — — EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 — — US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 — — US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 — — US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 — — US disclosed
EP-1857459-A2 Pyrazolopyrimidine compound and a process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2007-11-21 — — EP disclosed
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-06-22 — — US disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 — — US disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 — — US disclosed
EP-1585481-A2 PYRAZOLOPYRIMIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2005-10-19 — — EP disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 — — EP disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 — — EP disclosed
WO-2004064721-A2 A PYRAZOLOPYRIMIDINE COMPOUND AND A PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-08-05 — — 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 (6 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-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 TP53 1759/4885SMN1; SMN2 4312/4885L3MBTL3 3605/4885
US-20050282808-A1 Benzofuran derivative F12, F2, F11 TP53 4650/4885SMN1; SMN2 3151/4885L3MBTL3 4628/4885
US-20060135525-A1 Pyrazolopyrimidine compound and a process for preparing the same KCNJ2, KCNN2, KCNH2 TP53 4376/4885SMN1; SMN2 1291/4885L3MBTL3 4370/4885
US-20090156803-A1 Condensed furan compounds F2, F12, F11 TP53 3379/4885SMN1; SMN2 4447/4885L3MBTL3 4062/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 TP53 4644/4885SMN1; SMN2 3067/4885L3MBTL3 4616/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 TP53 3516/4885SMN1; SMN2 4490/4885L3MBTL3 4092/4885

“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.