Sugi Predict

Sugi Predict / Compounds / SCHEMBL856294

SCHEMBL856294

SCHEMBL856294

NCC(c1ccccc1)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.64
▸ GRM5 P41594 1/20 0.49
▸ KCNA5 P22460 1/20 0.49
▸ RPS6KB1 P23443 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP3A4 P08684 3/20 0.45
▸ TSHR P16473 3/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL20746267 1.00 DPP4 (0.64) DPP4GRM5KCNA5RPS6KB1ALDH1A1
Hydrochloric Acid SCHEMBL16143658 0.98 DPP4 (0.62) DPP4GRM5KCNA5RPS6KB1ALDH1A1
SCHEMBL1303683 0.86 DPP4 (0.53) DPP4GRM5KCNA5ALDH1A1CYP3A4
SCHEMBL15797665 0.86 DPP4 (0.54) DPP4GRM5ALDH1A1TSHRTHRB
SCHEMBL8514562 0.83 CYP1A2 (0.58) DPP4KCNA5RPS6KB1ALDH1A1CYP3A4
SCHEMBL468998 0.83 CYP1A2 (0.62) DPP4KCNA5RPS6KB1ALDH1A1CYP3A4
SCHEMBL15017817 0.83 CYP1A2 (0.62) DPP4KCNA5RPS6KB1ALDH1A1CYP3A4
SCHEMBL7120061 0.83 DPP4 (0.53) DPP4ALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL3470901 0.83 ACHE (0.53) DPP4RPS6KB1ALDH1A1TSHRSLC6A2
SCHEMBL18824466 0.83 DPP4 (0.60) DPP4RPS6KB1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547656-B1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2015-09-30 — — EP claimed
EP-2845593-A1 Pyridine and pyrazine derivative for the treatment of chronic obstructive pulmonary disease Novartis AG (CH) 2015-03-11 — — EP claimed
US-RE50878-E1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-05 — — US disclosed
CN-118684696-A Fluorine-containing probe molecules for chiral analysis 中国科学院上海有机化学研究所 2024-09-24 — — CN disclosed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 — — US disclosed
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis NOVARTIS AG (CH) 2024-02-22 — — US disclosed
EP-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 — — EP disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 — — US disclosed
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASAHI KASEI PHARMA CORPORATION (JP) 2023-05-18 — — US disclosed
CN-113891744-A Pyridine and pyrazine derivatives for the treatment of CF, COPD and bronchiectasis 诺华股份有限公司 2022-01-04 — — CN disclosed
US-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists RAQUALIA PHARMA INC. (JP) 2021-08-03 — — US disclosed
US-7326786-B2 Thiazolinone unsubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2008-02-05 — — US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 — — US disclosed
EP-1765817-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-28 — — EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 — — WO disclosed
WO-2006002829-A1 THIAZOLINONE UNSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 — — WO disclosed
US-20060004045-A1 Thiazolinone unsubstituted quinolines CHEN LI 2006-01-05 — — US disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 — — WO disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 — — EP disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — 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-11077100-B2 Tetrahydroquinoline derivatives as P2X7 receptor antagonists P2RX7, P2RX3, P2RX1 DPP4 1037/4885GRM5 229/4885KCNA5 448/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 DPP4 2/4885GRM5 350/4885KCNA5 904/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 DPP4 3232/4885GRM5 1283/4885KCNA5 113/4885
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 DPP4 3363/4885GRM5 1855/4885KCNA5 66/4885
US-20230149382-A1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 DPP4 1037/4885GRM5 229/4885KCNA5 448/4885
US-20060004045-A1 Thiazolinone unsubstituted quinolines CDK1, CDK17, CDK14 DPP4 2685/4885GRM5 3601/4885KCNA5 4166/4885

“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.