SCHEMBL1004554

SCHEMBL1004554

CCCCCCCCCCCc1ccccc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
NR1I2 O75469 1/20 0.58
CHRM2 P08172 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADRA2A P08913 1/20 0.58
MAPT P10636 1/20 0.58
OPRK1 P41145 1/20 0.58
HTR2B P41595 1/20 0.58
SLC6A3 Q01959 1/20 0.58
KMT2A Q03164 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
LIPG Q9Y5X9 1/20 0.54
BID P55957 3/20 0.50
MCL1 Q07820 3/20 0.50
BCL2L1 Q07817 2/20 0.50
BAK1 Q16611 2/20 0.50
KAT8 Q9H7Z6 2/20 0.50
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50

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
SCHEMBL28193718 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL31079007 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL1003626 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL1002751 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL1002777 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL421013 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL1004461 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL5566506 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL1003944 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL1003237 1.00 LMNA (0.58) LMNAMEN1NR1I2CHRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541249-A 2002-12-03 JP claimed
EP-1171432-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-01-16 EP claimed
WO-2000061569-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2000-10-19 WO claimed
US-8778219-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2014-07-15 US disclosed
US-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2013-12-19 US disclosed
US-8535560-B2 Ionic liquids for separation of olefin-paraffin mixtures UT-BATTELLE, LLC (US) 2013-09-17 US disclosed
WO-2011008664-A2 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES UT-BATTELLE, LLC (US) 2011-01-20 WO disclosed
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures UT-BATTELLE, LLC (US) 2011-01-20 US disclosed
EP-1242364-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
EP-1171432-A1 ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2002-01-16 EP disclosed
WO-2001044170-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-21 WO disclosed
WO-2000061569-A1 ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2000-10-19 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-20130338389-A1 IONIC LIQUIDS FOR SEPARATION OF OLEFIN-PARAFFIN MIXTURES POU2F1, POU2F2, POF1B LMNA 4185/4885MEN1 1717/4885NR1I2 1669/4885
US-20110015461-A1 Ionic Liquids for Separation of Olefin-Paraffin Mixtures POU2F1, POU2F2, POF1B LMNA 4185/4885MEN1 1717/4885NR1I2 1669/4885

“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.