SCHEMBL4132012

SCHEMBL4132012

C[C@H]1C[C@@H](NC(=O)O)c2ccccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.39
BRD4 O60885 6/20 0.37
CREBBP Q92793 5/20 0.37
EP300 Q09472 1/20 0.37
HSPA1A P0DMV8 1/20 0.37
PTPN7 P35236 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.34
EGFR P00533 2/20 0.34
ABCB1 P08183 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1043937 1.00 MAPT (0.45) MAPTHTTNPSR1TSHRGFER
SCHEMBL7613136 0.82 BRD4 (0.42) MAPTTSHRPTGDR2BRD4CREBBP
SCHEMBL6248351 0.81 HTT (0.38) MAPTHTTNPSR1TSHRGFER
SCHEMBL5504422 0.81 KCNQ2 (0.48) TSHRGFERBRD4CREBBPALDH1A1
SCHEMBL4118294 0.81 KCNQ2 (0.48) TSHRGFERBRD4CREBBPALDH1A1
SCHEMBL6279081 0.81 KCNQ2 (0.48) TSHRGFERBRD4CREBBPALDH1A1
SCHEMBL4118291 0.81 KCNQ2 (0.48) TSHRGFERBRD4CREBBPALDH1A1
SCHEMBL4128780 0.81 KCNQ2 (0.48) TSHRGFERBRD4CREBBPALDH1A1
SCHEMBL4123900 0.80 CDC25B (0.41) MAPTHTTNPSR1TSHRPTGDR2
SCHEMBL20269996 0.80 MEN1 (0.41) MAPTTSHRHSPA1APTPN7TDP1

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 5 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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MAPT 4208/4885HTT 4515/4885NPSR1 297/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 MAPT 4208/4885HTT 4515/4885NPSR1 297/4885

“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.