SCHEMBL1735538

SCHEMBL1735538

c1ccc(COc2ncc(N3CCOCC3)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP11B2 P19099 1/20 0.55
LMNA P02545 1/20 0.50
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
AGXT P21549 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 1/20 0.46
LRRK2 Q5S007 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
RXRA P19793 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
MGMT P16455 1/20 0.45

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
SCHEMBL28211954 0.80 KMT2A (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL23697934 0.80 KDM4E (0.45) ALDH1A1TSHRMAPK1LMNASMN1; SMN2
SCHEMBL24155898 0.79 POLB (0.61) ALDH1A1LMNACNR2SMN1; SMN2MEN1
SCHEMBL28927093 0.77 CYP11B2 (0.62) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL1263059 0.77 AGXT (0.61) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL29406578 0.76 SMN1; SMN2 (0.58) ALDH1A1HSD17B10ALOX15MAPK1LMNA
SCHEMBL14784224 0.76 MET (0.52) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL21865485 0.76 CYP3A4 (0.51) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL31104885 0.74 PRMT5 (0.57) ALDH1A1TSHRHSD17B10ALOX15MAPK1
SCHEMBL28643564 0.74 PRMT5 (0.57) ALDH1A1TSHRHSD17B10ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118206550-A SHP2 inhibitor and application thereof 江苏威凯尔医药科技有限公司 2024-06-18 CN disclosed
CN-103420977-A Acetylene derivative with anti-tumor activity SHANGHAI PHARMACEUTICAL GROUP CO LTD 2013-12-04 CN disclosed
CN-103421005-A Acetylene derivative capable of resisting activity of tumor SHANGHAI PHARMACEUTICAL GROUP CO LTD 2013-12-04 CN disclosed
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US disclosed
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US disclosed
US-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 US disclosed
EP-2007728-B1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2011-11-16 EP disclosed
EP-2007728-B1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2011-11-16 EP disclosed
WO-2011131370-A1 MELT-GRANULATED FINGOLIMOD RATIOPHARM GMBH (DE) 2011-10-27 WO disclosed
EP-2154132-A1 A process for preparing tetrahydroquinoline derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP disclosed
EP-2154132-A1 A process for preparing tetrahydroquinoline derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
CN-101466679-A Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORP (JP) 2009-06-24 CN disclosed
EP-2007728-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-31 EP disclosed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 WO disclosed
WO-2007116922-A1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-18 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 (1 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-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES PCSK9, LSS, DHCR7 ALDH1A1 2381/4885TSHR 3341/4885HSD17B10 289/4885

“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.