SCHEMBL86454

SCHEMBL86454

NC(CO)(CO)CCc1ccc(OC/C=C/c2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
MAOB P27338 3/20 0.39
MAOA P21397 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TNNC1 P63316 1/20 0.37
P4HB P07237 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34

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
Hydrochloric Acid SCHEMBL80924 0.99 S1PR1 (0.53) S1PR1MAOBMAOARXRARXRB
Hydrochloric Acid SCHEMBL80923 0.99 S1PR1 (0.53) S1PR1MAOBMAOARXRARXRB
SCHEMBL86924 0.90 S1PR1 (0.58) S1PR1MAOBMAOARXRARXRB
SCHEMBL80148 0.89 S1PR1 (0.53) S1PR1MAOBMAOATNNC1GRIN1
SCHEMBL86414 0.89 S1PR1 (0.56) S1PR1MAOBMAOATNNC1TAAR1
SCHEMBL80149 0.89 S1PR1 (0.53) S1PR1MAOBMAOATNNC1GRIN1
SCHEMBL86618 0.89 S1PR1 (0.57) S1PR1MAOBMAOARXRARXRB
Hydrochloric Acid SCHEMBL81388 0.89 S1PR1 (0.57) S1PR1MAOBMAOARXRARXRB
Hydrochloric Acid SCHEMBL81389 0.89 S1PR1 (0.57) S1PR1MAOBMAOARXRARXRB
Hydrochloric Acid SCHEMBL79371 0.89 S1PR1 (0.52) S1PR1MAOBMAOATNNC1GRIN1

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 5 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-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

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 S1PR1 511/4885MAOB 154/4885MAOA 228/4885

“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.