SCHEMBL4133614

SCHEMBL4133614

CCOC(=O)N1CCC(c2ccc(C(=O)Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.49
BRD4 O60885 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.47
TSHR P16473 2/20 0.46
PDE4B Q07343 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CHRM4 P08173 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL11437380 0.83 MEN1 (0.50) ALDH1A1SMN1; SMN2RAB9ABRD4L3MBTL1
SCHEMBL229512 0.82 NAMPT (0.58) KDM4EPDE4BKMT2AMEN1MAPT
SCHEMBL4129332 0.81 POLB (0.54) ALDH1A1KDM4ESMN1; SMN2RAB9AGAA
SCHEMBL23250797 0.80 L3MBTL1 (0.49) ALDH1A1KDM4ESMN1; SMN2BRD4L3MBTL1
SCHEMBL2514445 0.80 HRH2 (0.53)
SCHEMBL27622584 0.79 CA12 (0.46) RAB9A
SCHEMBL8986471 0.78 MAPT (0.58) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL8040438 0.78 NAMPT (0.54) ALDH1A1KDM4ESMN1; SMN2GAAKMT2A
SCHEMBL21159622 0.78 BRD4 (0.61) ALDH1A1KDM4ESMN1; SMN2BRD4L3MBTL1
SCHEMBL3033970 0.78 FDFT1 (0.55) ALDH1A1SMN1; SMN2RAB9AHPGD

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 10 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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP 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
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 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 (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 ALDH1A1 1599/4885KDM4E 4797/4885SMN1; SMN2 4770/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 2039/4885KDM4E 4690/4885SMN1; SMN2 4803/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885KDM4E 4797/4885SMN1; SMN2 4770/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 ALDH1A1 1663/4885KDM4E 4782/4885SMN1; SMN2 4763/4885

“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.