SCHEMBL6329

SCHEMBL6329

Cc1noc(-c2ccc(Br)cc2)c1CC(N)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DPP4 P27487 5/20 0.35
DPP7 Q9UHL4 5/20 0.35
DPP9 Q86TI2 3/20 0.35
DPP8 Q6V1X1 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SLC6A9 P48067 1/20 0.32
CRHR1 P34998 1/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6724 0.94 TRPV1 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL6483 0.77 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL27870816 0.76 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL1185 0.75 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL18597812 0.75 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL1683 0.74 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL25402932 0.74 TDP1 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL6330 0.73 TRPV1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL6435 0.72 RAB9A (0.37) CYP1A2CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL5419 0.72 TDP1 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP1A2 4342/4885CYP3A4 4616/4885CYP2C9 4732/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 CYP1A2 4342/4885CYP3A4 4616/4885CYP2C9 4732/4885

“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.