SCHEMBL2761328

SCHEMBL2761328

O=C(O)N[C@H](Cc1ccccc1)c1cnoc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
FPR2 P25090 2/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CNR2 P34972 1/20 0.38
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL2761302 0.79 RAB9A (0.42) RAB9ASMN1; SMN2LMNAL3MBTL1MMP2
SCHEMBL2836880 0.79 RAB9A (0.42) RAB9ASMN1; SMN2LMNAL3MBTL1MMP2
SCHEMBL15261555 0.78 MMP2 (0.40) RAB9ASMN1; SMN2LMNAL3MBTL1MMP2
SCHEMBL2761391 0.77 RAB9A (0.40) RAB9ASMN1; SMN2LMNAL3MBTL1MMP2
SCHEMBL18921065 0.72 S1PR4 (0.43) RAB9ASMN1; SMN2FPR2MEN1NPC1
SCHEMBL17265459 0.72 FAAH (0.38) RAB9ASMN1; SMN2LMNAL3MBTL1PPARA
SCHEMBL16697230 0.71 FPR2 (0.40) RAB9ASMN1; SMN2MMP2MMP1MMP3
SCHEMBL2762232 0.71 MEN1 (0.40) RAB9ASMN1; SMN2PPARAMEN1NPC1
SCHEMBL2762285 0.70 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL2839712 0.70 RAB9A (0.38) RAB9ASMN1; SMN2LMNAL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438048-B1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
US-8273780-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 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-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 RAB9A 2824/4885SMN1; SMN2 4481/4885LMNA 867/4885

“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.