SCHEMBL14414

SCHEMBL14414

CCOC(=O)C1(c2ccccc2-c2ccc(-c3onc(C)c3C=CCCc3ccccc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 3/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.35
OPRM1 P35372 4/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 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
SCHEMBL13720096 1.00 KCNA3 (0.36) KCNA3MEN1KMT2ARAB9ALMNA
SCHEMBL7462 0.90 CYP2C9 (0.37) KCNA3RAB9AALDH1A1ABCC3ABCC4
SCHEMBL11053 0.90 CYP2C9 (0.37) KCNA3RAB9AALDH1A1ABCC3ABCC4
SCHEMBL7463 0.90 CYP2C9 (0.37) KCNA3RAB9AALDH1A1ABCC3ABCC4
SCHEMBL6439 0.89 KCNA3 (0.44) KCNA3MEN1KMT2ARAB9ALMNA
SCHEMBL6440 0.89 KCNA3 (0.44) KCNA3MEN1KMT2ARAB9ALMNA
SCHEMBL18746105 0.85 OPRM1 (0.36) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL6961 0.82 OPRM1 (0.37) KCNA3MEN1KMT2ARAB9ALMNA
SCHEMBL7470 0.80 LPAR1 (0.49) ALDH1A1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14605 0.80 LPAR1 (0.49) ALDH1A1ABCC3ABCC4ABCB11CYP2C8

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 11 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
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
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-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-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
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US 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 KCNA3 2242/4885MEN1 2286/4885KMT2A 2185/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 KCNA3 2242/4885MEN1 2286/4885KMT2A 2185/4885

“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.