SCHEMBL4759063

SCHEMBL4759063

COC(CC[N+](=O)[O-])OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL28655739 0.76 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMEN1LMNA
SCHEMBL11903057 0.74
SCHEMBL265274 0.70
SCHEMBL4122875 0.67
SCHEMBL28487765 0.67 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL9452676 0.67 ALDH1A1 (0.36) ALDH1A1TDP1TSHRMEN1LMNA
SCHEMBL28280677 0.67 TSHR (0.32) ALDH1A1TSHR
SCHEMBL9452677 0.67 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMEN1LMNA
SCHEMBL12341097 0.67 ALDH1A1 (0.46) ALDH1A1TDP1TSHRMEN1LMNA
SCHEMBL20641014 0.67

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56005457-A None JP disclosed
JP-56008372-A None JP disclosed
CN-113563306-B Preparation method of 2- (4-phenoxyphenyl) -6- (piperidine-4-) nicotinamide 新发药业有限公司 2022-07-01 CN disclosed
CN-113563306-A Preparation method of 2- (4-phenoxyphenyl) -6- (piperidine-4-) nicotinamide 新发药业有限公司 2021-10-29 CN disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
CN-1312136-C Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2007-04-25 CN disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
CN-1646502-A Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2005-07-27 CN disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
WO-1998034933-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-08-13 WO disclosed
CN-1190390-A Nitric oxide synthase inhibitors derived from cyclic amidines SEARLE & CO (US) 1998-08-12 CN disclosed
CN-1189823-A Cyclic amidino formulations useful as nitric oxide synthase inhibitors SEARLE & CO (US) 1998-08-05 CN disclosed
EP-0824523-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. Searle & Co. (US) 1998-02-25 EP disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996035677-A1 NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES G.D. SEARLE & CO. (US) 1996-11-14 WO disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed
JP-S568372-A ISOXAZOLINES DAI ICHI SEIYAKU CO LTD 1981-01-28 JP disclosed
JP-S565457-A THIENAMYCIN INTERMEDIATE DAI ICHI SEIYAKU CO LTD 1981-01-20 JP 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 ALDH1A1 1408/4885TDP1 3181/4885TSHR 251/4885

“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.