SCHEMBL103440

SCHEMBL103440

Nc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.69
HPGD P15428 6/20 0.65
AKR1C3 P42330 1/20 0.61
TSHR P16473 1/20 0.60
ALDH1A1 P00352 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
POLB P06746 1/20 0.58
DNMT1 P26358 1/20 0.58
PTPN7 P35236 1/20 0.58

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
SCHEMBL25425485 0.93 PHGDH (0.61) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL21360559 0.91 HPGD (0.60) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL10720943 0.90 PHGDH (0.81) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL3566446 0.89 HPGD (0.58) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL11814357 0.88 PHGDH (0.55) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL18874233 0.88 HPGD (0.57) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL20261717 0.86 CA12 (0.73) HPGDALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL2999369 0.85 PHGDH (0.69) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL28296651 0.85 HPGD (0.86) PHGDHHPGDAKR1C3TSHRALDH1A1
SCHEMBL14320950 0.84 PKM (0.57) PHGDHHPGDTSHRALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-7365088-B2 Indazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
EP-1628972-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-01 EP claimed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-20040235824-A1 Indazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-25 US claimed
WO-2004101556-A1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
EP-1479675-A1 Indazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US claimed
US-20260109690-A1 HDAC6 INHIBITORS AND METHOD OF THEIR USE BAERENKRAFT THERAPEUTICS LLC (US) 2026-04-23 US disclosed
US-4631085-A Aqueous ink composition for ink-jet recording RICOH COMPANY, LTD. (JP) 1986-12-23 US disclosed
US-4025629-A HYPOTENSIVES, ANTIANXIETY THE UPJOHN COMPANY (US) 1977-05-24 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 (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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS PHGDH 148/4885HPGD 8/4885AKR1C3 2284/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 PHGDH 900/4885HPGD 1383/4885AKR1C3 3105/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 PHGDH 2029/4885HPGD 635/4885AKR1C3 3013/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A PHGDH 651/4885HPGD 524/4885AKR1C3 1858/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 PHGDH 2029/4885HPGD 635/4885AKR1C3 3013/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B PHGDH 633/4885HPGD 544/4885AKR1C3 1996/4885
US-20260109690-A1 HDAC6 INHIBITORS AND METHOD OF THEIR USE HDAC6, HDAC3, HDAC1 PHGDH 3097/4885HPGD 4001/4885AKR1C3 2535/4885
US-20040235824-A1 Indazole-derivatives as factor Xa inhibitors F11, F12, F5 PHGDH 2186/4885HPGD 678/4885AKR1C3 887/4885

“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.