SCHEMBL10013

SCHEMBL10013

Cc1noc(-c2ccc(Br)cc2)c1[C@@H](O)c1cn([C@H](C)c2ccccc2)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.36
LPAR3 Q9UBY5 1/20 0.36
ALDH1A1 P00352 1/20 0.34
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABCB4 P21439 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
NR1I3 Q14994 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BRD4 O60885 4/20 0.31
CREBBP Q92793 3/20 0.31
EGLN1 Q9GZT9 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10014 1.00 LPAR1 (0.36) LPAR1LPAR3ALDH1A1ABCC3ABCC4
SCHEMBL9822 1.00 LPAR1 (0.36) LPAR1LPAR3ALDH1A1ABCC3ABCC4
SCHEMBL9995 0.84 LPAR1 (0.52) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL9958 0.84 LPAR1 (0.52) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL9996 0.84 LPAR1 (0.52) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL9557 0.80 CYP19A1 (0.38) ALDH1A1GAABRD4MEN1LMNA
SCHEMBL9875 0.80 LPAR1 (0.44) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL5271 0.80 LPAR1 (0.44) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL9874 0.80 LPAR1 (0.44) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL10030 0.77 HDAC1 (0.37) ALDH1A1GAASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2014-09-11 US disclosed
US-8778983-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483269-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041461-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ALDH1A1 3990/4885
US-20140256744-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ALDH1A1 3990/4885
US-20110082164-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ALDH1A1 3990/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885ALDH1A1 3990/4885

“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.