SCHEMBL80738

SCHEMBL80738

c1ccc(-c2cccc(CCCOC3CCCCO3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MGLL Q99685 2/20 0.42
OPRM1 P35372 3/20 0.41
OPRK1 P41145 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRD1 P41143 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTAFR P25105 1/20 0.39
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38

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
SCHEMBL30416895 0.88 MEN1 (0.53) KDM4CMEN1KMT2AMGLLOPRM1
SCHEMBL9670893 0.87 KDM4C (0.51) KDM4CMEN1KMT2AMGLLOPRM1
SCHEMBL92954 0.84 NAAA (0.47) KDM4CMEN1KMT2AMGLLOXTR
SCHEMBL1008487 0.84 MEN1 (0.54) KDM4CMEN1KMT2AOPRM1OPRK1
SCHEMBL14469419 0.84 MEN1 (0.55) KDM4CMEN1KMT2AMGLLOPRM1
SCHEMBL8500626 0.84 MEN1 (0.55) KDM4CMEN1KMT2AMGLLOPRM1
SCHEMBL31419831 0.84 MEN1 (0.51) KDM4CMEN1KMT2AOPRM1OPRK1
SCHEMBL81144 0.84 KDM4C (0.46) KDM4CMEN1KMT2AOPRM1OPRK1
SCHEMBL4074819 0.84 KDM4C (0.46) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL18045760 0.84 MEN1 (0.47) KDM4CMEN1KMT2AOPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C KDM4C 1969/4885MEN1 1026/4885KMT2A 525/4885

“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.