SCHEMBL17061192

SCHEMBL17061192

O=C(OCC1CCCO1)N1C=Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.43
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL325121 0.82 CHRM2 (0.37) PRMT5WDR77
SCHEMBL324590 0.82 HDAC3 (0.38) PRMT5WDR77
SCHEMBL324443 0.81 CHRM2 (0.39) MGLLLMNAPRMT5WDR77
SCHEMBL15056964 0.76 HDAC3 (0.41) LMNAPOLB
SCHEMBL29493251 0.76 HDAC3 (0.41) LMNAPOLB
SCHEMBL4553128 0.76 NAMPT (0.45) HTTPOLB
SCHEMBL324798 0.74 GRIN2B (0.40) POLB
SCHEMBL5721697 0.73 ALDH1A1 (0.41) HTTLMNA
SCHEMBL13740771 0.73 CYP1A2 (0.49)
SCHEMBL324299 0.73 P2RX4 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MGLL 1024/4885HTT 3680/4885LMNA 1760/4885

“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.