SCHEMBL3055048

SCHEMBL3055048

CCCC1CCNC(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.37
OR51E2 Q9H255 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
FKBP5 Q13451 1/20 0.35
TLR4 O00206 2/20 0.33
OPRL1 P41146 2/20 0.33
OPRM1 P35372 1/20 0.33
CYP2C9 P11712 1/20 0.32
AR P10275 2/20 0.32
MAPT P10636 2/20 0.31
PGR P06401 1/20 0.31
CCR2 P41597 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CHRNA7 P36544 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL1423866 0.89 CYP1A2 (0.44) CRBNOR51E2ALDH1A1KMT2ATLR4
SCHEMBL7625438 0.87 CYP1A2 (0.44) CRBNOR51E2ALDH1A1KMT2ATLR4
SCHEMBL11727840 0.86 CYP1A2 (0.42) ALDH1A1KMT2ATLR4CYP2C9CCR2
SCHEMBL4414565 0.84 CRBN (0.40) CRBNOR51E2ALDH1A1FKBP5NOS3
SCHEMBL5502631 0.82 CYP1A2 (0.37) ALDH1A1KMT2AOPRL1OPRM1MAPT
SCHEMBL11728621 0.80 CRBN (0.33) CRBNOR51E2FKBP5CCR2LMNA
SCHEMBL25280759 0.76 CRBN (0.40) CRBNOR51E2FKBP5
SCHEMBL17834527 0.75 TLR4 (0.39) ALDH1A1KMT2ATLR4OPRL1OPRM1
SCHEMBL17968884 0.75 TLR4 (0.39) ALDH1A1KMT2ATLR4OPRL1OPRM1
SCHEMBL178387 0.74 ALDH1A1 (0.41) ALDH1A1KMT2ATLR4OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3328916-B1 FLAME-RESISTANT POLYAMIDE AS REACTION PRODUCT OF A LACTAM, AND METHOD FOR THE PRODUCTION AND USE THEREOF DEUTSCHE INST FUER TEXTIL UND FASERFORSCHUNG DENKENDORF (DE) 2019-11-20 EP disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
US-6858044-B1 Increasing the wet slippage properties of textiles material, and wet-acting lubricants for this purpose CLARIANT FINANCE (BVI) LIMITED (VG) 2005-02-22 US disclosed
EP-1218586-B1 INCREASING THE WET SLIPPAGE PROPERTIES OF TEXTILE MATERIAL, AND WET-ACTING LUBRICANTS FOR THIS PURPOSE CLARIANT FINANCE BVI LTD (VG) 2004-12-22 EP disclosed
EP-1218586-A1 INCREASING THE WET SLIPPAGE PROPERTIES OF TEXTILE MATERIAL, AND WET-ACTING LUBRICANTS FOR THIS PURPOSE Clariant Finance (BVI) Limited (VG) 2002-07-03 EP disclosed
EP-1094147-A1 Enhancement of the wet sliding property of textile material and a wet sliding agent therefore CLARIANT INTERNATIONAL LTD. (CH) 2001-04-25 EP disclosed
WO-2001021880-A1 INCREASING THE WET SLIPPAGE PROPERTIES OF TEXTILE MATERIAL, AND WET-ACTING LUBRICANTS FOR THIS PURPOSE CLARIANT FINANCE (BVI) LIMITED (VG) 2001-03-29 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 (4 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 CRBN 1668/4885OR51E2 2781/4885ALDH1A1 1721/4885
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 CRBN 973/4885OR51E2 983/4885ALDH1A1 1186/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CRBN 1668/4885OR51E2 2781/4885ALDH1A1 1721/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CRBN 1668/4885OR51E2 2781/4885ALDH1A1 1721/4885

“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.