SCHEMBL4084639

SCHEMBL4084639

CC(O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 2/20 0.38
HTRA1 Q92743 1/20 0.35
DPP4 P27487 4/20 0.35
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 4/20 0.35
NR1H3 Q13133 1/20 0.35

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
SCHEMBL4498311 1.00 PIK3CD (0.45) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL92842 0.89 CHRM2 (0.45) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL13662060 0.89 PIK3CD (0.58) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL20713741 0.89 CHRM2 (0.45) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL1002636 0.89 PIK3CD (0.58) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL24633719 0.89 CHRM2 (0.45) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL13748623 0.89 PIK3CD (0.58) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL1002266 0.89 PIK3CD (0.58) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL29058376 0.84 CHRM2 (0.44) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL29770788 0.84 CHRM2 (0.44) PIK3CDCHRM2CHRM1CHRM3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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 (2 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PIK3CD 902/4885CHRM2 642/4885CHRM1 468/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PIK3CD 959/4885CHRM2 615/4885CHRM1 571/4885

“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.