SCHEMBL2292755

SCHEMBL2292755

CN=C(C)C(C(=O)OC)C(=O)c1ccc(Br)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.54
CHRNG P07510 2/20 0.54
CHRNB1 P11230 2/20 0.54
CHRNB2 P17787 2/20 0.54
SLC6A2 P23975 2/20 0.54
CHRNB4 P30926 2/20 0.54
SLC6A4 P31645 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA4 P43681 2/20 0.54
SLC6A3 Q01959 2/20 0.54
CHRND Q07001 2/20 0.54
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 3/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2292750 1.00 CHRNA1 (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2288623 0.86 CHRNA1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2291374 0.86 MAPT (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2288627 0.86 CHRNA1 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL2291371 0.86 MAPT (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3044469 0.82 MAPT (0.39) PKMALDH1A1RAB9ANPC1MAPT
SCHEMBL3044470 0.82 MAPT (0.39) PKMALDH1A1RAB9ANPC1MAPT
SCHEMBL3710894 0.81 SIRT1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3710891 0.81 SIRT1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL3711785 0.80 NPC1 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 EP disclosed
US-8440707-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-8048902-B2 Antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC., (US) 2011-08-11 US disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
US-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 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 (4 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-20100152257-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 CHRNA1 634/4885CHRNG 606/4885CHRNB1 678/4885
US-20110196005-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 CHRNA1 634/4885CHRNG 606/4885CHRNB1 678/4885
US-20110301211-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 CHRNA1 634/4885CHRNG 606/4885CHRNB1 678/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 CHRNA1 634/4885CHRNG 606/4885CHRNB1 678/4885

“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.