SCHEMBL3397656

SCHEMBL3397656

CC1(C)OB(c2ccc(C(=O)N3CCCC3)cc2CN(Cc2ccccc2)C(=O)C2CC2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CNR2 P34972 1/20 0.42
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AR P10275 4/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
CCR5 P51681 1/20 0.39
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CHRM5 P08912 2/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1922731 0.84 MEN1 (0.45) MEN1KMT2AL3MBTL1LPAR1LPAR5
SCHEMBL16501870 0.83 MEN1 (0.49) MEN1KMT2ALPAR1LPAR5KDM4E
SCHEMBL1922514 0.83 MEN1 (0.43) MEN1KMT2AL3MBTL1LPAR1LPAR5
SCHEMBL1922934 0.82 MEN1 (0.42) MEN1KMT2ALPAR1LPAR5KDM4E
SCHEMBL3402369 0.82 MEN1 (0.50) MEN1KMT2AMBTD1L3MBTL3L3MBTL1
SCHEMBL1921901 0.80 PTGDR2 (0.47) MEN1KMT2A
SCHEMBL1922026 0.80 MEN1 (0.46) MEN1KMT2AARLPAR1LPAR5
SCHEMBL16501884 0.75 MEN1 (0.46) MEN1KMT2AL3MBTL1CCR5KDM4E
SCHEMBL30227066 0.73 HPGD (0.39) KMT2ACNR2CNR1ALDH1A1RECQL
SCHEMBL13428069 0.73 MEN1 (0.40) MEN1KMT2ACNR2MBTD1L3MBTL3

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-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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 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 (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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MEN1 4828/4885KMT2A 4142/4885CNR2 29/4885

“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.