SCHEMBL6604902

SCHEMBL6604902

CCC(=O)CC(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.56
PLOD2 O00469 1/20 0.56
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
PTPN1 P18031 1/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
ALOX12 P18054 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL9483307 0.89 MAPT (0.48) HTR7NPC1RAB9APTPN1MEN1
SCHEMBL655375 0.83 HTR7 (0.64) HTR7PLOD2NPC1RAB9APTPN1
SCHEMBL2491432 0.83 PLOD2 (0.69) HTR7PLOD2NPC1RAB9APTPN1
SCHEMBL9365217 0.82 HTR7 (0.65) HTR7PLOD2NPC1RAB9APTPN1
SCHEMBL28294449 0.82 HTR7 (0.74) HTR7PLOD2NPC1RAB9APTPN1
SCHEMBL6890145 0.82 HSD17B3 (0.59) NPC1RAB9APTPN1MEN1KMT2A
SCHEMBL8237426 0.82 KMT2A (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL28195018 0.80 TDP1 (0.56) HTR7NPC1RAB9APTPN1MEN1
SCHEMBL6824453 0.80 PLOD2 (0.56) HTR7PLOD2NPC1RAB9APTPN1
SCHEMBL21202169 0.80 GSK3B (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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-2785696-B1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
US-8822464-B2 N-aryl-piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8822464-B2 N-aryl-piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130137688-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 US disclosed
US-20130137688-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-30 US disclosed
EP-1102757-B1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-14 EP disclosed
EP-1102757-A1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-05-30 EP disclosed
WO-2000008002-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS hPPAR GAMMA AND hPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2000-02-17 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-20130137688-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 HTR7 196/4885PLOD2 4592/4885NPC1 1738/4885
US-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 HTR7 282/4885PLOD2 4696/4885NPC1 1813/4885

“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.