SCHEMBL1002636

SCHEMBL1002636

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.58
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
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 3/20 0.40
NR1H3 Q13133 2/20 0.40

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
SCHEMBL1002266 1.00 PIK3CD (0.58) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL13662060 1.00 PIK3CD (0.58) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL13748623 1.00 PIK3CD (0.58) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL4498311 0.89 PIK3CD (0.45) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL4084639 0.89 PIK3CD (0.45) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL24633719 0.87 CHRM2 (0.45) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL92842 0.87 CHRM2 (0.45) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL20713741 0.87 CHRM2 (0.45) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL29770772 0.86 CHRM2 (0.44) PIK3CDCHRM2CHRM1CHRM3CYP1A2
SCHEMBL29770788 0.86 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 WO disclosed
US-7875633-B2 4-[(4-Chlorobenzyl)oxy]-1-(4-[(1E)-3-(methylamino)-1-propen-1-yl]phenyl)pyridin-2(1H)-one; remedy for metabolic disorders such as obesity, diabetes, hormone disorder; cardiovascular disorders (stenocardia, acute or congestive heart failure); nervous system disorders (bulimia, anxiety, epilepsy etc.) BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
EP-1921065-B1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMA CO LTD (JP) 2010-10-20 EP disclosed
EP-1921065-A1 PHENYLPYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 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 (7 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PIK3CD 1017/4885CHRM2 4698/4885CHRM1 4525/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PIK3CD 1017/4885CHRM2 4698/4885CHRM1 4525/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 PIK3CD 2687/4885CHRM2 591/4885CHRM1 665/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PIK3CD 1017/4885CHRM2 4698/4885CHRM1 4525/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PIK3CD 1017/4885CHRM2 4698/4885CHRM1 4525/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PIK3CD 1017/4885CHRM2 4698/4885CHRM1 4525/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PIK3CD 1017/4885CHRM2 4698/4885CHRM1 4525/4885

“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.