SCHEMBL3829548

SCHEMBL3829548

C[C@@H]1CN(C)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HTR1A P08908 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 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
SCHEMBL4248088 1.00 TSHR (0.39) TSHRMAPTGAASMN1; SMN2LMNA
SCHEMBL9446411 1.00 TSHR (0.39) TSHRMAPTGAASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4246521 0.98 TSHR (0.38) TSHRMAPTGAASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL21805904 0.98 TSHR (0.38) TSHRMAPTGAASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL16010588 0.98 TSHR (0.38) TSHRMAPTGAASMN1; SMN2LMNA
Succinic Acid SCHEMBL16009795 0.91 SMN1; SMN2 (0.34) TSHRMAPTGAASMN1; SMN2LMNA
SCHEMBL25212730 0.88 GAA (0.38) TSHRMAPTGAASMN1; SMN2LMNA
SCHEMBL799032 0.83 CYP1A2 (0.43) TSHRMAPTGAASMN1; SMN2LMNA
SCHEMBL357615 0.83 CYP1A2 (0.43) TSHRMAPTGAASMN1; SMN2LMNA
SCHEMBL799196 0.83 CYP1A2 (0.43) TSHRMAPTGAASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210205389-A1 METHODS AND COMPOSITIONS FOR TREATING NON-SMALL CELL LUNG CANCER CHANG GUNG MEDICAL FOUND KEELUNG CHANG GUNG MEMORIAL HOSPITAL (TW) 2021-07-08 US claimed
US-10953059-B2 Methods and compositions for treating non-small cell lung cancer CHANG GUNG MEDICAL FOUNDATION KEELUNG CHANG GUNG MEMORIAL HOSPITAL (TW) 2021-03-23 US claimed
EP-3513809-A1 MEDICINAL COMPOSITION Kyowa Hakko Kirin Co., Ltd. (JP) 2019-07-24 EP claimed
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2019-03-28 US claimed
EP-2964638-B1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2017-08-09 EP claimed
WO-2017042634-A2 USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE DEL MAR PHARMACEUTICALS (CA) 2017-03-16 WO claimed
US-9375432-B2 Quinazoline inhibitors of activating mutant forms of epidermal growth factor receptor ASTRAZENECA AB (SE) 2016-06-28 US claimed
EP-2964638-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR Astrazeneca AB (SE) 2016-01-13 EP claimed
US-9066979-B2 Quinazoline inhibitors of activating mutant forms of epidermal growth factor receptor ASTRAZENECA AB (SE) 2015-06-30 US claimed
WO-2014135876-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2014-09-12 WO claimed
US-20140255428-A1 Quinazoline Inhibitors of activating mutant forms of Epidermal Growth Factor Receptor ASTRAZENECA AB (SE) 2014-09-11 US claimed
US-20240207246-A1 PHARMACEUTICAL COMPOSITION KYOWA KIRIN CO., LTD. (JP) 2024-06-27 US disclosed
US-20240116926-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-04-11 US disclosed
US-11951103-B2 Pharmaceutical composition KYOWA KIRIN CO., LTD. (JP) 2024-04-09 US disclosed
WO-2024008929-A1 EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS IN COMBINATION WITH HGF-RECEPTOR INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-01-11 WO disclosed
US-9066979-B2 Quinazoline inhibitors of activating mutant forms of epidermal growth factor receptor ASTRAZENECA AB (SE) 2015-06-30 US disclosed
WO-2014135876-A1 QUINAZOLINE INHIBITORS OF ACTIVATING MUTANT FORMS OF EPIDERMAL GROWTH FACTOR RECEPTOR ASTRAZENECA AB (SE) 2014-09-12 WO disclosed
US-20140255428-A1 Quinazoline Inhibitors of activating mutant forms of Epidermal Growth Factor Receptor ASTRAZENECA AB (SE) 2014-09-11 US disclosed
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 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 (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-20240116926-A1 HETEROAROMATIC COMPOUNDS CYP1B1, CYP2D6, CYP1A1 TSHR 3581/4885MAPT 2845/4885GAA 395/4885
US-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 TSHR 2591/4885MAPT 3039/4885GAA 4598/4885
US-20240207246-A1 PHARMACEUTICAL COMPOSITION EGFR, VEGFA, KDR TSHR 412/4885MAPT 195/4885GAA 370/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 TSHR 4615/4885MAPT 3406/4885GAA 2352/4885
US-11951103-B2 Pharmaceutical composition EGFR, VEGFA, KDR TSHR 412/4885MAPT 195/4885GAA 370/4885
US-20140255428-A1 Quinazoline Inhibitors of activating mutant forms of Epidermal Growth Factor Receptor EGFR, ERBB2, ABL1 TSHR 2349/4885MAPT 4146/4885GAA 1637/4885

“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.