SCHEMBL4550238

SCHEMBL4550238

CC(=O)N1CCN(C(=O)C2CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 1/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.57
CHRNB2 P17787 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
CHRNB3 Q05901 1/20 0.56
CHRNA6 Q15825 1/20 0.56
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 1/20 0.52
HSD11B1 P28845 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL13194598 0.89 ALDH1A1 (0.79) ALDH1A1TSHRHPGDHTTHSD11B1
SCHEMBL19569940 0.87 ALDH1A1 (0.75) ALDH1A1TSHRHPGDHTTCHRNB2
SCHEMBL25499129 0.87 CYP1A2 (0.61) ALDH1A1TSHRHPGDHTTCHRNB2
SCHEMBL2956853 0.87
SCHEMBL13779943 0.86 CYP1A2 (0.65) ALDH1A1TSHRHPGDHTTTDP1
SCHEMBL15398791 0.85 LMNA (0.48) ALDH1A1TSHRHPGDHTTCHRNB2
SCHEMBL13629811 0.85 SMN1; SMN2 (0.49) ALDH1A1TSHRHPGDHTTCHRNB2
SCHEMBL18415366 0.85 HPGD (0.65) ALDH1A1TSHRHPGDHTTCHRNB2
SCHEMBL19132687 0.84 EPHX2 (0.54) ALDH1A1TSHRHPGDHTTCHRNB2
SCHEMBL29944041 0.83 HPGD (0.69) ALDH1A1TSHRHPGDHTTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704102-B1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS US HEALTH (US) 2024-02-28 EP disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR MEDSHINE DISCOVERY INC. (CN) 2023-11-02 US disclosed
US-20210179630-A1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES 2021-06-17 US disclosed
WO-2021047674-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR 南京明德新药研发有限公司 2021-03-18 WO disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20150209363-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) FOR USE IN TREATMENT OF DISEASES ASSOCIATED WITH A PTEN DEFICIENCY MEDIVATION, INC. 2015-07-30 US disclosed
US-9018201-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) for use in treatment of diseases associated with a PTEN deficiency Biomarin Pharmaceuticial Inc. (US) 2015-04-28 US disclosed
US-8999987-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2015-04-07 US disclosed
US-20140066429-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) FOR USE IN TREATMENT OF DISEASES ASSOCIATED WITH A PTEN DEFICIENCY BIOMARIN PHARMACEUTICAL INC. (US) 2014-03-06 US disclosed
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 US disclosed
US-8541403-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) for use in treatment of diseases associated with a PTEN deficiency BIOMARIN PHARMACEUTICAL INC. (US) 2013-09-24 US disclosed
US-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-29 US disclosed
US-20130190306-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2013-07-25 US disclosed
US-8440651-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-14 US disclosed
US-8420650-B2 Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2013-04-16 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
WO-2010138589-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. (US) 2010-12-02 WO disclosed
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE GENENTECH, INC. 2010-12-02 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 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 (9 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-20130225557-A1 PYRIDO[3,2-d]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB ALDH1A1 2467/4885TSHR 3332/4885HPGD 718/4885
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A ALDH1A1 983/4885TSHR 2647/4885HPGD 312/4885
US-20230348441-A1 BICYCLIC COMPOUND THAT ACTS AS CRBN PROTEIN REGULATOR CRBN, CRKL, NCOR1 ALDH1A1 4261/4885TSHR 931/4885HPGD 4408/4885
US-20150209363-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) FOR USE IN TREATMENT OF DISEASES ASSOCIATED WITH A PTEN DEFICIENCY PARP1, PARP2, PARP11 ALDH1A1 879/4885TSHR 4371/4885HPGD 554/4885
US-20210179630-A1 SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS ALDH1A1, ALDH1A2, ALDH2 ALDH1A1 1/4885TSHR 1531/4885HPGD 179/4885
US-20130190306-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 ALDH1A1 326/4885TSHR 3935/4885HPGD 242/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ALDH1A1 374/4885TSHR 2501/4885HPGD 36/4885
US-20140066429-A1 DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) FOR USE IN TREATMENT OF DISEASES ASSOCIATED WITH A PTEN DEFICIENCY PARP1, PARP2, PARP11 ALDH1A1 879/4885TSHR 4371/4885HPGD 554/4885
US-20100305096-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD ALDH1A1 4423/4885TSHR 2653/4885HPGD 3173/4885

“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.