SCHEMBL168071

SCHEMBL168071

CON=C1CCc2c(Br)cccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
PIM1 P11309 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK5 Q00535 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1A Q13627 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL27873727 1.00 PARP10 (0.40) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL1857350 1.00 PARP10 (0.40) PARP10PARP11PIM1CSNK1A1CDK5
SCHEMBL17190969 0.81 PARP1 (0.41) PARP10PARP11KDM4EMAPT
SCHEMBL27873730 0.79 SRD5A1 (0.39) KDM4EMAPT
SCHEMBL159742 0.79 SRD5A1 (0.39) KDM4EMAPT
SCHEMBL7897372 0.79 SRD5A1 (0.39) KDM4EMAPT
SCHEMBL7897504 0.79 KDM4E (0.31) KDM4EMAPT
SCHEMBL7897374 0.77 MAPT (0.35) KDM4EMAPT
SCHEMBL27873729 0.77 MAPT (0.35) KDM4EMAPT
SCHEMBL158376 0.77 MAPT (0.35) KDM4EMAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR ABBVIE INC. 2012-11-01 US disclosed
CN-102617464-A fused compounds that inhibit vanilloid receptor subtype 1 (vr1) receptor ABBOTT LAB 2012-08-01 CN disclosed
US-8232309-B2 Prodrugs of compounds that inhibit TRPV1 receptor ABBOTT LABORATORIES (US) 2012-07-31 US disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 US disclosed
CN-102459179-A Pyridinone antagonists of alpha-4 integrins ELAN PHARM INC 2012-05-16 CN disclosed
EP-2424841-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS Elan Pharmaceuticals Inc. (US) 2012-03-07 EP disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 US disclosed
CN-101445501-A Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2009-06-03 CN disclosed
EP-2017265-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor Abbott Laboratories (US) 2009-01-21 EP disclosed
US-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-11-20 US disclosed
EP-1658269-B1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2008-10-22 EP disclosed
US-7375126-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2008-05-20 US disclosed
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor ABBVIE INC. 2007-05-03 US disclosed
CN-1835924-A Fused compounds that inhibit vanilloid receptor subtype 1(vr1) receptor ABBOTT LAB (US) 2006-09-20 CN disclosed
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2005-02-24 US disclosed
WO-2004111009-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2004-12-23 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 (6 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-20080287676-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 PARP10 1783/4885PARP11 800/4885PIM1 3253/4885
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 PARP10 1858/4885PARP11 2054/4885PIM1 3503/4885
US-20120277190-A1 PRODRUGS OF COMPOUNDS THAT INHIBIT TRPV1 RECEPTOR TRPV1, TRPV3, TRPA1 PARP10 1462/4885PARP11 1002/4885PIM1 4314/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 PARP10 1814/4885PARP11 785/4885PIM1 3001/4885
US-20070099954-A1 Prodrugs of compounds that inhibit TRPV1 receptor TRPV1, TRPV3, TRPA1 PARP10 1462/4885PARP11 1002/4885PIM1 4314/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 PARP10 1783/4885PARP11 800/4885PIM1 3253/4885

“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.