SCHEMBL12130

SCHEMBL12130

Cc1noc(-c2ccc(Br)cc2)c1NC(C)C1CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.41
LPAR3 Q9UBY5 3/20 0.41
CYP2C9 P11712 2/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
ABCB4 P21439 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
LPAR2 Q9HBW0 2/20 0.35
MAPT P10636 2/20 0.35
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 3/20 0.33
TRPV1 Q8NER1 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL13719 1.00 LPAR1 (0.41) LPAR1LPAR3CYP2C9ABCC3ABCC4
Bicarbonate SCHEMBL18167264 0.83 LPAR1 (0.41) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL13506 0.81 LPAR1 (0.60) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL14778462 0.81 LPAR1 (0.60) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL12036 0.77 LPAR1 (0.51) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL12132 0.76 HTR2C (0.36) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL12131 0.76 HTR2C (0.36) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL4347 0.71 LPAR1 (0.46) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL1165 0.71 KMT2A (0.45) LPAR1LPAR3CYP2C9ABCC3ABCC4
SCHEMBL6983 0.70 LPAR1 (0.45) LPAR1LPAR3CYP2C9ABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP 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
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC 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 (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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885CYP2C9 4650/4885

“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.