SCHEMBL324836

SCHEMBL324836

O=C(OCCc1ccccc1)N1CCc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.55
WDR77 Q9BQA1 3/20 0.55
ALDH1A1 P00352 3/20 0.55
TAAR1 Q96RJ0 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
TMEM97 Q5BJF2 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
NOTUM Q6P988 1/20 0.51
ABHD6 Q9BV23 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP1 P29466 1/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL324228 0.86 TMEM97 (0.67) PRMT5WDR77MEN1KMT2ANPC1
SCHEMBL9853000 0.84 SMN1; SMN2 (0.58) PRMT5WDR77ALDH1A1TAAR1KDM4E
SCHEMBL9527451 0.83 PRMT5 (0.57) PRMT5WDR77TAAR1MEN1KMT2A
SCHEMBL30023801 0.83 NOTUM (0.58) PRMT5WDR77ALDH1A1TAAR1KDM4E
SCHEMBL9852991 0.82 SMN1; SMN2 (0.62) PRMT5WDR77ALDH1A1TAAR1KDM4E
SCHEMBL16268868 0.81 ALDH1A1 (0.64) PRMT5WDR77ALDH1A1TAAR1KDM4E
SCHEMBL22032274 0.81 PRMT5 (0.61) PRMT5WDR77ALDH1A1TAAR1MEN1
SCHEMBL15355387 0.81 PRMT5 (0.55) PRMT5WDR77ALDH1A1TAAR1KDM4E
SCHEMBL30647004 0.81 PRMT5 (0.55) PRMT5WDR77ALDH1A1TAAR1KDM4E
SCHEMBL5697159 0.79 NPC1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 PRMT5 2287/4885WDR77 4503/4885ALDH1A1 2057/4885

“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.