SCHEMBL16468949

SCHEMBL16468949

O=CCCCCCCCC(Cc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.42
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
LMNA P02545 1/20 0.38
TACR1 P25103 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP19A1 P11511 2/20 0.37
ACP3 P15309 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CASR P41180 1/20 0.36
CHRM2 P08172 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
ADRB3 P13945 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
SCHEMBL16469218 0.84 S1PR1 (0.56) S1PR1CHRM2ADRB3
SCHEMBL16468959 0.84 S1PR1 (0.56) S1PR1CHRM2ADRB3
SCHEMBL16468984 0.84 S1PR1 (0.56) S1PR1CHRM2ADRB3
SCHEMBL16469104 0.84 LMNA (0.41) S1PR1IDO1TDO2LMNATACR1
SCHEMBL16468656 0.80 S1PR1 (0.56) S1PR1IDO1KMT2ATP53MAPT
SCHEMBL16489861 0.80 S1PR1 (0.52) S1PR1IDO1LMNAMEN1KMT2A
SCHEMBL16469145 0.78 S1PR1 (0.58) S1PR1LMNAACP3SLC6A4CASR
SCHEMBL16470812 0.75 S1PR5 (0.46) S1PR1MEN1KMT2A
SCHEMBL6223474 0.72 ACP3 (0.37) IDO1TDO2LMNAMEN1KMT2A
SCHEMBL5539437 0.71 TAAR1 (0.50) KMT2ACHRM2

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
US-20150051186-A1 ARYL AZETIDINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US disclosed
WO-2015023839-A1 ARYL AZETIDINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-19 WO disclosed
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US disclosed
WO-2015023837-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-19 WO disclosed
WO-2015023837-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-19 WO disclosed
WO-2015023839-A1 ARYL AZETIDINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-02-19 WO disclosed
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US disclosed
US-20150051186-A1 ARYL AZETIDINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US disclosed
US-20150051186-A1 ARYL AZETIDINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 US disclosed
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. 2015-02-19 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 (2 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-20150051186-A1 ARYL AZETIDINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR2, S1PR3 S1PR1 1/4885IDO1 1225/4885TDO2 3191/4885
US-20150051176-A1 ARYL DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS S1PR1, S1PR3, S1PR2 S1PR1 1/4885IDO1 2129/4885TDO2 3567/4885

“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.