SCHEMBL4035983

SCHEMBL4035983

CC(C)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 2/20 0.36
ELANE P08246 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
ACE P12821 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 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
SCHEMBL29624640 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3MAPTELANE
SCHEMBL18987136 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3MAPTELANE
SCHEMBL4035987 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3MAPTELANE
SCHEMBL29261319 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3MAPTELANE
SCHEMBL29261316 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3MAPTELANE
SCHEMBL29261317 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3MAPTELANE
SCHEMBL3378115 0.85 CHRM2 (0.40) CHRM2CHRM1CHRM3MAPTNPC1
SCHEMBL14141084 0.85 CHRM2 (0.40) CHRM2CHRM1CHRM3MAPTNPC1
SCHEMBL27378721 0.84 CHRM2 (0.38) CHRM2CHRM1CHRM3MAPTELANE
SCHEMBL31080746 0.80 CHRM2 (0.36) CHRM2CHRM1CHRM3MAPTNPC1

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 7 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-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US disclosed
US-7531545-B2 2-amino-3,4-dihydro-pyrido[3,4-d]pyrimidine derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-12 US disclosed
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BAXTER ELLEN E 2007-11-08 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 (5 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-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CHRM2 4698/4885CHRM1 4525/4885CHRM3 4278/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CHRM2 4698/4885CHRM1 4525/4885CHRM3 4278/4885
US-20070259898-A1 NOVEL 2-AMINO-3,4-DIHYDRO-PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF beta-SECRETASE (BACE) BACE2, PSEN2, BACE1 CHRM2 1310/4885CHRM1 3192/4885CHRM3 2332/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CHRM2 4698/4885CHRM1 4525/4885CHRM3 4278/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CHRM2 4698/4885CHRM1 4525/4885CHRM3 4278/4885

“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.