SCHEMBL79294

SCHEMBL79294

COc1ccc(CCCOC2CCCCO2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4C Q9H3R0 1/20 0.41
RECQL P46063 1/20 0.41
P2RX3 P56373 1/20 0.41
SLC6A4 P31645 1/20 0.40
PTAFR P25105 4/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KCNA5 P22460 3/20 0.39
SCN5A Q14524 3/20 0.39
KCND2 Q9NZV8 3/20 0.39

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
SCHEMBL93016 0.85 SMN1; SMN2 (0.47) NPC1RAB9ACRHBPCRHR2SMN1; SMN2
SCHEMBL79454 0.84 SLC6A2 (0.44) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL14065880 0.79 KDM4C (0.46) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL21236930 0.77 KDM4C (0.45) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL9670893 0.77 KDM4C (0.51) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL81144 0.77 KDM4C (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8844164 0.76 MEN1 (0.51) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL4074508 0.76 MEN1 (0.48) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL13953674 0.76 MEN1 (0.48) NPC1RAB9AMEN1KMT2AKDM4C
SCHEMBL4074507 0.76 MEN1 (0.48) NPC1RAB9AMEN1KMT2AKDM4C

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 NPC1 2600/4885RAB9A 3144/4885CRHBP 3247/4885

“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.