SCHEMBL497973

SCHEMBL497973

CCN(C(C)=O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL497617 0.79 CA12 (0.36) ALDH1A1TDP1TSHR
SCHEMBL15471176 0.79 CHRM2 (0.36) CHRM1ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL968380 0.78 SLC6A2 (0.33) SLC6A2
SCHEMBL968381 0.78 MEN1 (0.37) CHRM1ALDH1A1SLC6A2TSHR
SCHEMBL23590364 0.76 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL22704214 0.76 GRM5 (0.32) SLC6A2
SCHEMBL8599594 0.76 TSHR (0.36) ALDH1A1SLC6A2TSHR
SCHEMBL969639 0.76 SLC6A2 (0.32) SLC6A2
SCHEMBL8403036 0.76 LMNA (0.33) ALDH1A1TDP1SLC6A2TSHR
SCHEMBL12245562 0.76 MEN1 (0.33) SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190125701-A1 Compositions and Methods for Treating Viral Infection in Mammals UNIV YALE (US) 2019-05-02 US claimed
EP-3452172-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS Yale University (US) 2019-03-13 EP claimed
WO-2017192799-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS YALE UNIVERSITY (US) 2017-11-09 WO claimed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190125701-A1 Compositions and Methods for Treating Viral Infection in Mammals UNIV YALE (US) 2019-05-02 US disclosed
EP-3452172-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS Yale University (US) 2019-03-13 EP disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 US disclosed
WO-2017192799-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTION IN MAMMALS YALE UNIVERSITY (US) 2017-11-09 WO disclosed
US-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-02-09 US disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES PHARMACOPEIA, INC. (US) 2008-02-28 US disclosed
US-20070213315-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-09-13 US disclosed
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP disclosed
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 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 (8 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-20070213315-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 CHRM1 6/4885ALDH1A1 2356/4885CHRM2 3/4885
US-20080051423-A1 NITROGEN HETEROCYCLE BIARYLS FOR OSTEOPOROSIS AND OTHER DISEASES EDNRA, EDNRB, ESRRB CHRM1 2499/4885ALDH1A1 820/4885CHRM2 1608/4885
US-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE ERBB2, EGFR, LANCL2 CHRM1 1240/4885ALDH1A1 2238/4885CHRM2 1625/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CHRM1 227/4885ALDH1A1 1598/4885CHRM2 691/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CHRM1 227/4885ALDH1A1 1598/4885CHRM2 691/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CHRM1 209/4885ALDH1A1 1601/4885CHRM2 651/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CHRM1 227/4885ALDH1A1 1598/4885CHRM2 691/4885
US-20190125701-A1 Compositions and Methods for Treating Viral Infection in Mammals RPL35, PIGS, HAVCR2 CHRM1 4453/4885ALDH1A1 3379/4885CHRM2 4464/4885

“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.