SCHEMBL136933

SCHEMBL136933

CCN(Cc1cc(C)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
KDM4E B2RXH2 7/20 0.45
HSD17B10 Q99714 7/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
TSHR P16473 4/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HPGD P15428 2/20 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
SCHEMBL135241 0.90 CYP1A2 (0.43) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
SCHEMBL151700 0.86 PTGDR2 (0.56) ALDH1A1PTGDR2MAPTKMT2AMEN1
SCHEMBL137058 0.84 HIF1A (0.33) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL138146 0.82 HPGD (0.45) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL137340 0.82 PTGDR2 (0.44) ALDH1A1PTGDR2TSHRNPSR1KMT2A
SCHEMBL16501882 0.81 HSD17B10 (0.41) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL134740 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HTTSMN1; SMN2
SCHEMBL136492 0.80 HPGD (0.35) ALDH1A1KDM4EHSD17B10PTGDR2KMT2A
SCHEMBL16501886 0.78 KMT2A (0.45) ALDH1A1KDM4EHSD17B10SMN1; SMN2TSHR
SCHEMBL153232 0.77 PTGDR2 (0.49) ALDH1A1HTTSMN1; SMN2PTGDR2MAPT

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-9572785-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-02-21 US disclosed
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF BRICKELL BIOTECH, INC. 2016-05-19 US disclosed
US-8815917-B2 DP2 antagonist and uses thereof PANMIRA PHARMACEUTICALS, LLC (US) 2014-08-26 US disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110034558-A1 DP2 Antagonist and Uses Thereof AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 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 (5 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2005/4885KDM4E 4789/4885HSD17B10 1780/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2005/4885KDM4E 4789/4885HSD17B10 1780/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2005/4885KDM4E 4789/4885HSD17B10 1780/4885
US-20110034558-A1 DP2 Antagonist and Uses Thereof PTGER2, PTGES2, PTGDR2 ALDH1A1 615/4885KDM4E 3057/4885HSD17B10 1972/4885
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGES2, PTGDR2 ALDH1A1 615/4885KDM4E 3057/4885HSD17B10 1972/4885

“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.