SCHEMBL79454

SCHEMBL79454

Cc1cc(CCCOC2CCCCO2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
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 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX3 P56373 8/20 0.40
CHEK1 O14757 1/20 0.37
DRD4 P21917 3/20 0.37
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
KCNA5 P22460 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL92906 0.85 DRD4 (0.47) SLC6A2SLC6A4SLC6A3L3MBTL1MEN1
SCHEMBL79294 0.84 NPC1 (0.45) SLC6A4MEN1KMT2AKDM4CNPC1
SCHEMBL79915 0.81 L3MBTL1 (0.44) SLC6A4L3MBTL1MEN1KMT2AKDM4C
SCHEMBL14065880 0.80 KDM4C (0.46) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL1002925 0.79 MEN1 (0.48) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL9670893 0.78 KDM4C (0.51) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL81144 0.78 KDM4C (0.46) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL4074507 0.77 MEN1 (0.48) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL8844164 0.77 MEN1 (0.51) L3MBTL1MEN1KMT2AKDM4CNPC1
SCHEMBL4074508 0.77 MEN1 (0.48) 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 8 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
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

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 SLC6A2 22/4885SLC6A4 45/4885SLC6A3 177/4885

“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.