SCHEMBL18969609

SCHEMBL18969609

CC(C)(C)CC(=O)NC1CC(F)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.38
GAA P10253 1/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
MAPT P10636 1/20 0.34
LIPE Q05469 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL20129894 0.87 GAA (0.39) HSD11B1GAAKCNQ3KCNQ2MAPT
SCHEMBL18177854 0.79 GAA (0.59) GAAMAPTMEN1KMT2AHTT
SCHEMBL15138249 0.79 MTNR1A (0.40) GAAMAPTMEN1KMT2ACYP1A2
SCHEMBL23518502 0.78 HSD11B1 (0.54) HSD11B1MEN1KMT2AHPGD
SCHEMBL1515374 0.78 HSD11B1 (0.54) HSD11B1MEN1KMT2AHPGD
SCHEMBL23518575 0.78 HSD11B1 (0.54) HSD11B1MEN1KMT2AHPGD
SCHEMBL20467895 0.77 GAA (0.44) HSD11B1GAAKCNQ2MAPTLIPE
SCHEMBL27186331 0.77 GAA (0.35) GAAMAPTMEN1KMT2AGRIN1
SCHEMBL29223316 0.76 APLNR (0.34) GAAKMT2AHPGDGRIN1GRIN2B
SCHEMBL23518503 0.76 GAA (0.39) HSD11B1GAAMAPTMEN1KMT2A

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-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-11759455-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-09-19 US disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-20230000833-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-01-05 US disclosed
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2022-12-27 US disclosed
US-20220162193-A1 PYRAZOLESULFONAMIDES AS ANTITUMOR AGENTS PELOTON THERAPEUTICS, INC. (US) 2022-05-26 US disclosed
US-11207298-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-28 US disclosed
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2021-03-11 US disclosed
US-20210069155-A1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-11 US disclosed
US-10617676-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-14 US disclosed
US-20180125826-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (JP) 2018-05-10 US disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 US disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 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 (11 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-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP HSD11B1 3930/4885GAA 4490/4885KCNQ3 3913/4885
US-11207298-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C HSD11B1 1455/4885GAA 1759/4885KCNQ3 1278/4885
US-11535630-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP HSD11B1 3930/4885GAA 4490/4885KCNQ3 3913/4885
US-20230000833-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C HSD11B1 1455/4885GAA 1759/4885KCNQ3 1278/4885
US-20210070767-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP HSD11B1 3930/4885GAA 4490/4885KCNQ3 3913/4885
US-20220162193-A1 PYRAZOLESULFONAMIDES AS ANTITUMOR AGENTS RBM39, RBM3, RBM28 HSD11B1 3638/4885GAA 3356/4885KCNQ3 4377/4885
US-11759455-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C HSD11B1 1455/4885GAA 1759/4885KCNQ3 1278/4885
US-10617676-B2 Substituted 1H-imidazo[4,5-b]pyridin-2(3H)-ones and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C HSD11B1 1455/4885GAA 1759/4885KCNQ3 1278/4885
US-20210069155-A1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C HSD11B1 1455/4885GAA 1759/4885KCNQ3 1278/4885
US-20180125826-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C HSD11B1 1455/4885GAA 1759/4885KCNQ3 1278/4885
US-20230338341-A1 SUBSTITUTED 1H-IMIDAZO[4,5-b]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C HSD11B1 1455/4885GAA 1759/4885KCNQ3 1278/4885

“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.