SCHEMBL2146983

SCHEMBL2146983

CC(C)(C)OC(=O)N1CC(O)CC1C=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.42
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
BTK Q06187 1/20 0.35
HSD11B1 P28845 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13618986 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL16040748 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL8383028 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL6347851 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL6347848 1.00 CHRM2 (0.49) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL26039903 0.88 CHRM2 (0.46) CHRM2CHRM1CHRM3NR1H2HSD17B10
SCHEMBL19477755 0.87 CHRM2 (0.45) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL8274294 0.86 NR1H2 (0.41) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL20713877 0.86 CHRM2 (0.47) CHRM2CHRM1CHRM3CYP1A2POLB
SCHEMBL19865492 0.86 CHRM2 (0.47) CHRM2CHRM1CHRM3CYP1A2POLB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
CN-104105691-A MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC 2014-10-15 CN claimed
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-9073922-B2 Pyrrolo[2,3-B]pyridine CDK9 kinase inhibitors ABBVIE, INC. (US) 2015-07-07 US disclosed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
CN-104105691-A MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC 2014-10-15 CN disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. 2014-09-18 US disclosed
WO-2011090965-A1 NOVEL CATIONIC LIPIDS FOR OLIGONUCLEOTIDE DELIVERY MERCK SHARP & DOHME CORP. (US) 2011-07-28 WO disclosed
EP-1056733-B1 HISTAMINE H3 RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2004-01-07 EP disclosed
CN-1377647-A 4-mercaptopyrrolidinyl derivative as fernesyl transferase inhibitor ZENECA LTD (GB) 2002-11-06 CN 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 (4 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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CHRM2 1532/4885CHRM1 1750/4885CHRM3 2769/4885
US-20140275027-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 CHRM2 1876/4885CHRM1 1485/4885CHRM3 2416/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 CHRM2 726/4885CHRM1 869/4885CHRM3 323/4885
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS RIPK2, RIPK1, RIPK3 CHRM2 4804/4885CHRM1 4849/4885CHRM3 4847/4885

“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.