SCHEMBL15056537

SCHEMBL15056537

O=C(OCc1ccccc1)N1CCc2c(Br)ccc(O)c2C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
PTGDR2 Q9Y5Y4 14/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL30031492 0.87 PTGDR2 (0.63) PTGDR2
SCHEMBL15056959 0.87 PTGDR2 (0.63) PTGDR2
SCHEMBL15056801 0.87 PTGDR2 (0.59) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL15056744 0.85 PTGDR2 (0.62) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL15056760 0.85 PTGDR2 (0.66) PTGDR2
SCHEMBL18524120 0.85 PTGDR2 (0.60) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL15055269 0.84 PTGDR2 (0.61) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL18524394 0.83 PTGDR2 (0.66) PTGDR2
SCHEMBL29554819 0.82 TMEM97 (0.58) TMEM97SIGMAR1PTGDR2MEN1KMT2A
SCHEMBL19537599 0.82 TMEM97 (0.67) TMEM97SIGMAR1PTGDR2NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
CN-104011021-B heterocyclic derivatives and their use as prostaglandin D2 receptor modulators 埃科特莱茵药品有限公司 2016-08-24 CN disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
EP-2794563-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-10-29 EP disclosed
WO-2013093842-A1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2013-06-27 WO 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 TMEM97 903/4885SIGMAR1 598/4885PTGDR2 3/4885

“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.