SCHEMBL4124398

SCHEMBL4124398

CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.52
NPSR1 Q6W5P4 3/20 0.51
GPR55 Q9Y2T6 2/20 0.51
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 1/20 0.49
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL4124396 1.00 PTGDR2 (0.52) PTGDR2NPSR1GPR55LMNASMN1; SMN2
Propionamide SCHEMBL4129719 0.97 PTGDR2 (0.49) PTGDR2NPSR1GPR55LMNASMN1; SMN2
Propionamide SCHEMBL4129716 0.97 PTGDR2 (0.49) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4132600 0.88 LMNA (0.59) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4132598 0.88 LMNA (0.59) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL5502218 0.88 LMNA (0.59) PTGDR2NPSR1GPR55LMNASMN1; SMN2
SCHEMBL4116024 0.86 PTGDR2 (0.67) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4116026 0.86 PTGDR2 (0.67) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13776124 0.79 PTGDR2 (0.73) PTGDR2NPSR1LMNASMN1; SMN2MEN1
SCHEMBL4121854 0.78 NPSR1 (0.80) PTGDR2NPSR1GPR55LMNASMN1; SMN2

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
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-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (4 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885NPSR1 297/4885GPR55 46/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885NPSR1 303/4885GPR55 38/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885NPSR1 297/4885GPR55 46/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 PTGDR2 1/4885NPSR1 354/4885GPR55 70/4885

“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.