SCHEMBL79915

SCHEMBL79915

Cc1ccc(F)c(CCCOC2CCCCO2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
P2RX3 P56373 5/20 0.36
HTR2C P28335 4/20 0.32
SLC6A4 P31645 4/20 0.32
HTR2A P28223 1/20 0.32
PDE2A O00408 1/20 0.32
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32

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
SCHEMBL92936 0.85 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL79454 0.81 SLC6A2 (0.44) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL15180186 0.79 NPC1 (0.44) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL14065880 0.78 KDM4C (0.46) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL28385006 0.78 MEN1 (0.46) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL26580504 0.76 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL9673310 0.74 KDM4C (0.53) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL30076909 0.74 L3MBTL1 (0.52) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL28354599 0.74 MEN1 (0.43) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL17624780 0.74 MEN1 (0.55) L3MBTL1MEN1KMT2AKDM4CNPC1

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 L3MBTL1 2206/4885MEN1 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.