SCHEMBL1922504

SCHEMBL1922504

CC(C)(C)NC(=O)c1ccc(Br)c(CN(Cc2ccccc2)C(=O)C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SNCA P37840 1/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 0.45
CNR2 P34972 3/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
TSHR P16473 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MAPT P10636 1/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC3 O15379 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CHRM5 P08912 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1921571 0.88 MEN1 (0.52) MEN1KMT2ALPAR1LPAR5CNR2
SCHEMBL1921610 0.85 MEN1 (0.51) MEN1KMT2ALPAR1LPAR5CNR2
SCHEMBL1923971 0.84 MEN1 (0.58) MEN1KMT2ALPAR1LPAR5TSHR
SCHEMBL1922934 0.83 MEN1 (0.42) MEN1KMT2ASNCALPAR1LPAR5
SCHEMBL1922579 0.80 PTGDR2 (0.42) MEN1KMT2ASNCALPAR1LPAR5
SCHEMBL1922200 0.80 LPAR1 (0.50) MEN1KMT2ALPAR1LPAR5TSHR
SCHEMBL16501869 0.80 MEN1 (0.58) MEN1KMT2ALPAR1LPAR5PTGDR2
SCHEMBL3402369 0.78 MEN1 (0.50) MEN1KMT2ALPAR1LPAR5TSHR
SCHEMBL1922289 0.77 MEN1 (0.54) MEN1KMT2APTGDR2
SCHEMBL1922764 0.76 ALDH1A1 (0.41) MEN1KMT2ASNCALPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 US disclosed
EP-2328869-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-06-08 EP disclosed
WO-2010037054-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4812/4885KMT2A 4268/4885SNCA 4348/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4828/4885KMT2A 4142/4885SNCA 4402/4885

“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.