SCHEMBL39631

SCHEMBL39631

c1ccc(CNCCN2CCOCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.61
CYP2D6 P10635 2/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 1/20 0.59
POLB P06746 2/20 0.58
SIGMAR1 Q99720 2/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.54
KDM1A O60341 1/20 0.54
APP P05067 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
Hydrochloric Acid SCHEMBL5758788 0.98 DPP7 (0.71) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL7000083 0.98 DPP7 (0.71) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4
SCHEMBL3166127 0.91 CYP2D6 (0.65) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4
SCHEMBL4246716 0.91 DPP7 (0.60) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4
SCHEMBL3704422 0.90 CYP2C19 (0.74) DPP7CYP2D6ALDH1A1CYP3A4CYP2C19
Water SCHEMBL28295097 0.89 CYP2C19 (0.72) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4
SCHEMBL14068495 0.88 CYP2C19 (0.70) DPP7CYP2D6ALDH1A1CYP3A4CYP2C19
SCHEMBL3179723 0.85 CYP2C19 (0.76) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4
SCHEMBL5756091 0.84 DPP7 (1.00) DPP7CYP2D6CYP3A4SIGMAR1MEN1
SCHEMBL14782117 0.84 CYP2D6 (0.57) DPP7L3MBTL1CYP2D6ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997046549-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE XANTHENE DERIVATIVES NOVARTIS AG (CH) 1997-12-11 WO claimed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2022-10-20 US disclosed
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-9676727-B2 Myxovirus therapeutics, compounds, and uses related thereto EMORY UNIVERSITY (US) 2017-06-13 US disclosed
US-6025489-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
EP-0429149-B1 Tricyclic pteridinones and a process for their preparation BERLEX LAB (US) 2000-01-05 EP disclosed
WO-1999007707-A1 8-SUBSTITUTED-9H-1,3-DIOXOLO/4,5-h//2,3/BENZODIAZEPINE DERIVATIVES, AS AMPA/KAINATE RECEPTOR INHIBITORS EGIS Gyógyszergyár Rt. (HU) 1999-02-18 WO disclosed
WO-1999007708-A1 1,3-DIOXOLO/4,5-H//2,3/BENZODIAZEPINE DERIVATIVES AS AMPA/KAINATE RECEPTOR INHIBITORS EGIS Gyógyszergyár Rt. (HU) 1999-02-18 WO disclosed
US-5854419-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
US-5602252-A Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. 1997-02-11 US disclosed
WO-1990006928-A1 6-(1-CARBAMOYL-1-HYDROXYMETHYL)PENICILLANIC ACID DERIVATIVES BARTH WAYNE E (US) 1990-06-28 WO disclosed
US-4868296-A 6-(1-carbamoyl-1-hydroxymethyl) penicillanic acid derivatives PFIZER INC. (US) 1989-09-19 US disclosed
US-4797394-A 6-(1-carbamoyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1989-01-10 US disclosed
EP-0220939-A1 6-(1-Carbamoyl-1-hydroxymethyl)penicillanic-acid derivatives PFIZER INC. (US) 1987-05-06 EP 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 (3 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS DPP7 228/4885L3MBTL1 4285/4885CYP2D6 1699/4885
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 DPP7 1739/4885L3MBTL1 4142/4885CYP2D6 409/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 DPP7 1739/4885L3MBTL1 4142/4885CYP2D6 409/4885

“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.