SCHEMBL13776239

SCHEMBL13776239

CC(=O)N(c1ccccc1)C1CCN(C(=O)c2ccco2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.56
GPR55 Q9Y2T6 2/20 0.56
LMNA P02545 4/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
PTGDR2 Q9Y5Y4 10/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL6972330 0.87 NPSR1 (0.53) NPSR1GPR55LMNAMAPTHTT
SCHEMBL5394931 0.84 PTGDR2 (0.63) LMNAMAPTHTTMEN1KMT2A
SCHEMBL6972312 0.84 NPSR1 (0.50) NPSR1GPR55LMNAMAPTHTT
SCHEMBL4131812 0.80 NPSR1 (0.85) NPSR1GPR55LMNAMAPTHTT
SCHEMBL4116979 0.80 NPSR1 (0.85) NPSR1GPR55LMNAMAPTHTT
SCHEMBL13776242 0.80 NPSR1 (0.65) NPSR1GPR55LMNAMAPTHTT
SCHEMBL13776240 0.79 NPSR1 (0.54) NPSR1GPR55LMNAMAPTHTT
SCHEMBL6971694 0.79 TDP1 (0.59) LMNAMAPTHTTSMN1; SMN2NPC1
SCHEMBL5405274 0.79 PTGDR2 (0.48) LMNAMAPTHTTMEN1KMT2A
SCHEMBL13776245 0.78 NPSR1 (0.66) NPSR1GPR55LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 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-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 NPSR1 297/4885GPR55 46/4885LMNA 4545/4885

“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.