SCHEMBL15020090

SCHEMBL15020090

Cc1oc2ccc(F)cc2c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
HTT P42858 1/20 0.64
SLC26A4 O43511 7/20 0.51
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
BLM P54132 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 4/20 0.48
PTPN5 P54829 1/20 0.48
CASP6 P55212 1/20 0.48
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 1/20 0.46
ANO1 Q5XXA6 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL29630216 0.81 HTT (0.64) LMNAHTTSLC26A4KMT2AMEN1
SCHEMBL24470616 0.81 HTT (0.64) LMNAHTTSLC26A4KMT2AMEN1
SCHEMBL15019934 0.80 SLC26A4 (0.64) LMNAHTTSLC26A4KMT2AMEN1
SCHEMBL24484736 0.80 SLC26A4 (0.51) LMNAHTTSLC26A4KMT2AMEN1
SCHEMBL24470810 0.79 LMNA (1.00) LMNAHTTSLC26A4KMT2AMEN1
SCHEMBL29712989 0.79 LMNA (1.00) LMNAHTTSLC26A4KMT2AMEN1
SCHEMBL1839725 0.78 POLB (0.76) LMNAHTTSLC26A4KMT2AMEN1
SCHEMBL19820374 0.78 SLC26A4 (0.57) LMNAHTTSLC26A4KMT2AMEN1
SCHEMBL24470994 0.77 SLC26A4 (0.80) LMNAHTTSLC26A4KMT2AMEN1
SCHEMBL20280639 0.77 CYP2C19 (0.70) LMNAHTTKMT2AMEN1POLB

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
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
EP-2791130-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS Boehringer Ingelheim International GmbH (DE) 2014-10-22 EP disclosed
WO-2013087805-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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 (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-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 LMNA 4835/4885HTT 724/4885SLC26A4 3617/4885

“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.