Sugi Predict

Sugi Predict / Compounds / SCHEMBL5217160

SCHEMBL5217160

SCHEMBL5217160

COC(=O)[C@@H]1CNCCN1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.42
▸ CHRNA4 P43681 4/20 0.42
▸ CHRNB4 P30926 2/20 0.42
▸ CHRNA3 P32297 2/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ BACE1 P56817 1/20 0.31

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
SCHEMBL10069014 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1702621 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL10448153 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL282695 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL16636891 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL1512332 0.98 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Acetic Acid SCHEMBL28060550 0.93 CHRNB2 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Pyrrole SCHEMBL28099762 0.88 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17560420 0.85 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Tert-Butyl Formate SCHEMBL28060526 0.84 TDP1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 — — CN claimed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 — — US disclosed
US-20230175026-A1 Process for the Preparation of a Chiral Piperazine-2-carboxylic Acid HOFFMANN-LA ROCHE INC. (US) 2023-06-08 — — US disclosed
CN-114269367-A Therapeutic peptides 科巴公司 2022-04-01 — — CN disclosed
EP-3055290-B1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2019-10-02 — — EP disclosed
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 — — WO disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 — — US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 — — US disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 — — WO disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 — — US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 — — WO disclosed
EP-1322596-B1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-08-15 — — EP disclosed
EP-1322596-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-07-02 — — EP disclosed
US-6479518-B2 PSYCHOLOGICAL DISORDERS MERCK & CO., INC. 2002-11-12 — — US disclosed
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists MERCK & CO., INC. 2002-04-11 — — US disclosed
WO-2002024629-A1 ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-28 — — WO disclosed
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 — — CN 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 (5 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-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R CHRNB2 362/4885CHRNA4 225/4885CHRNB4 330/4885
US-20230175026-A1 Process for the Preparation of a Chiral Piperazine-2-carboxylic Acid HAVCR2, HCCS, DHPS CHRNB2 4569/4885CHRNA4 4532/4885CHRNB4 4823/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CHRNB2 4246/4885CHRNA4 4776/4885CHRNB4 4398/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CHRNB2 4246/4885CHRNA4 4776/4885CHRNB4 4398/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS CHRNB2 4627/4885CHRNA4 4771/4885CHRNB4 4531/4885

“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.