SCHEMBL4472678

SCHEMBL4472678

CC(C)(C)OC(=O)NCC(=O)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
SIGMAR1 Q99720 1/20 0.53
MMP1 P03956 2/20 0.45
MMP13 P45452 2/20 0.45
MMP9 P14780 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 2/20 0.41
CTSK P43235 1/20 0.41
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
ADAM17 P78536 1/20 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
SCHEMBL1329658 0.98 TSHR (0.62) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL25313503 0.85 ALDH1A1 (0.59) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL28018778 0.85 MEN1 (0.59) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL5445038 0.85 ALDH1A1 (0.59) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL211627 0.84 ALDH1A1 (0.58) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL19199734 0.84 SIGMAR1 (0.55) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL1222794 0.84 MEN1 (0.58) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL318106 0.84 MEN1 (0.58) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL4613472 0.84 ALDH1A1 (0.58) TSHRALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL15841183 0.83 ALDH1A1 (0.67) TSHRALDH1A1MEN1KMT2ASIGMAR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024009283-A1 AT2 ANTAGONISTS FOR NON-ADDICTIVE PAIN RELIEF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-01-11 WO disclosed
US-20230357347-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. 2023-11-09 US disclosed
US-20230357347-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. 2023-11-09 US disclosed
US-11535660-B1 Modulators of G-protein coupled receptors Cannot Therapeutics, Inc. (US) 2022-12-27 US disclosed
WO-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2017088738-A1 MODIFIED COMPOUND OF ANDROGRAPHOLIDE 南京明德新药研发股份有限公司 2017-06-01 WO disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 WO disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO 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 (8 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH TSHR 1944/4885ALDH1A1 4365/4885MEN1 4217/4885
US-20230357347-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS GIPR, GLP1R, GCGR TSHR 140/4885ALDH1A1 3305/4885MEN1 3167/4885
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 TSHR 4601/4885ALDH1A1 969/4885MEN1 4883/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH TSHR 1944/4885ALDH1A1 4365/4885MEN1 4217/4885
US-11535660-B1 Modulators of G-protein coupled receptors GIPR, GLP1R, GCGR TSHR 142/4885ALDH1A1 3367/4885MEN1 3115/4885
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 TSHR 832/4885ALDH1A1 716/4885MEN1 3103/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 TSHR 1437/4885ALDH1A1 2341/4885MEN1 3081/4885
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 TSHR 3086/4885ALDH1A1 1129/4885MEN1 4052/4885

“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.