SCHEMBL172515

SCHEMBL172515

CNC(=O)[C@@H]1CCCN1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 1/20 0.53
BCHE P06276 1/20 0.41
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
PDK2 Q15119 1/20 0.34
ACE P12821 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NR1I2 O75469 1/20 0.33
POLB P06746 1/20 0.33
MMP3 P08254 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
UBE2N P61088 1/20 0.33

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
SCHEMBL9020148 1.00 CYP3A4 (0.53) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL490080 1.00 CYP3A4 (0.53) CYP3A4CYP2D6BCHEWNT1GSK3B
Hydrochloric Acid SCHEMBL490045 0.98 CYP3A4 (0.51) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL12443460 0.94 CYP3A4 (0.47) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL9921656 0.94 CYP3A4 (0.47) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL26287093 0.94 CYP3A4 (0.47) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL18800228 0.92 CYP3A4 (0.46) CYP3A4CYP2D6BCHEPARP1KDM4E
SCHEMBL31734262 0.92 CYP3A4 (0.46) CYP3A4CYP2D6BCHEPARP1KDM4E
SCHEMBL15374826 0.87
SCHEMBL29865289 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323345-A1 UNA OLIGOMERS FOR THE TREATMENT OF POLYGLUTAMINE DISEASES ARCTURUS THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230323345-A1 UNA OLIGOMERS FOR THE TREATMENT OF POLYGLUTAMINE DISEASES ARCTURUS THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
US-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI), INC. (CN) 2023-08-17 US disclosed
WO-2021257916-A1 UNA OLIGOMERS FOR THE TREATMENT OF POLYGLUTAMINE DISEASES ARCTURUS THERAPEUTICS, INC. (US) 2021-12-23 WO disclosed
WO-2021257917-A1 UNA OLIGOMERS FOR THE TREATMENT OF POLYGLUTAMINE DISEASES ARCTURUS THERAPEUTICS, INC. (US) 2021-12-23 WO disclosed
EP-3831823-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
WO-2020025030-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION 上海轶诺药业有限公司 2020-02-06 WO disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-1664030-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026156-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
EP-0912572-B1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LTD (GB) 2003-01-15 EP disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
US-6207669-B1 IN TREATMENT OF CANCER AND PSORIASIS GLAXO WELLCOME INC. 2001-03-27 US 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-20230257380-A1 TROPOMYOSIN RECEPTOR KINASE (TRK) DEGRADATION COMPOUNDS AND METHODS OF USE MUSK, ERBB2, NTRK1 CYP3A4 4645/4885CYP2D6 4098/4885BCHE 2509/4885
US-20230323345-A1 UNA OLIGOMERS FOR THE TREATMENT OF POLYGLUTAMINE DISEASES UPF1, HNRNPUL1, HNRNPUL2 CYP3A4 4881/4885CYP2D6 4878/4885BCHE 4736/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 CYP3A4 2581/4885CYP2D6 1506/4885BCHE 1883/4885

“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.