SCHEMBL15020131

SCHEMBL15020131

COC(C)c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.51
▸ ENPEP Q07075 1/20 0.51
▸ PTGS1 P23219 3/20 0.50
▸ PTGS2 P35354 3/20 0.50
▸ MAPT P10636 2/20 0.47
▸ CXCR1 P25024 2/20 0.47
▸ CXCR2 P25025 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ CXCL8 P10145 1/20 0.47
▸ THPO P40225 1/20 0.47

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
SCHEMBL15019977 0.84 TSHR (0.50) PTGS1PTGS2MAPTALDH1A1CYP3A4
SCHEMBL10416036 0.84 ANPEP (0.53) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL6204470 0.82 ANPEP (0.51) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL6204467 0.82 ANPEP (0.51) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL14968991 0.81 AKR1C3 (0.53) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL371525 0.81 ANPEP (0.58) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL30444032 0.81 RXRA (0.66) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL30354039 0.81 ANPEP (0.58) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL105264 0.81 RXRA (0.66) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL10653124 0.81 ANPEP (0.50) ANPEPENPEPPTGS1PTGS2MAPT

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
EP-2791130-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 — — EP disclosed
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
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
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
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 ANPEP 4377/4885ENPEP 2645/4885PTGS1 1240/4885

“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.

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