SCHEMBL1863124

SCHEMBL1863124

CC(C)COC(=O)n1ncc2c([N+](=O)[O-])cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.42
SCN9A Q15858 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
ABCC4 O15439 1/20 0.39
CACNA1F O60840 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
NR3C1 P04150 1/20 0.39
CYP1A2 P05177 1/20 0.39
PGR P06401 1/20 0.39
ABCB1 P08183 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CNR1 P21554 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SCN1A P35498 1/20 0.39

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
SCHEMBL1861487 0.84 CREBBP (0.44) CREBBPSCN9ASCN10ALMNACYP1A2
SCHEMBL1856772 0.83 CREBBP (0.47) CREBBPNPC1RAB9AALDH1A1TDP1
SCHEMBL1161440 0.82 NPC1 (0.49) SCN9ASCN10ANPC1RAB9ATP53
SCHEMBL21874152 0.81 PIN1 (0.41) CREBBPLMNACNR1HTTNPC1
SCHEMBL6066037 0.81 CREBBP (0.45) CREBBPNPC1RAB9AALDH1A1TDP1
SCHEMBL1855369 0.81 SCN9A (0.45) SCN9ASCN10ANPC1RAB9AP2RX4
SCHEMBL1161808 0.80 SCN9A (0.42) SCN9ASCN10ANPC1RAB9AP2RX4
SCHEMBL2481191 0.80 CREBBP (0.44) CREBBPSCN9ALMNACYP1A2SCN5A
SCHEMBL29510797 0.80 CREBBP (0.44) CREBBPSCN9ALMNACYP1A2SCN5A
SCHEMBL1100436 0.79 CREBBP (0.64) CREBBPLMNACYP1A2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487116-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. (US) 2013-07-16 US disclosed
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBVIE INC. 2012-07-26 US disclosed
US-8071762-B2 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-12-06 US disclosed
US-8026256-B2 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2011-09-27 US disclosed
EP-2017265-B1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2011-05-25 EP 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
EP-1658269-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR Abbott Laboratories (US) 2006-05-24 EP disclosed
US-7015233-B2 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2006-03-21 US disclosed
EP-1633748-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-15 EP disclosed
US-20060035934-A1 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor ABBVIE INC. 2006-02-16 US 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
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-12-16 US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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 (5 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 CREBBP 1705/4885SCN9A 138/4885SCN10A 150/4885
US-20060035934-A1 Fused compounds that inhibit vanilloid subtype 1 (VR1) receptor TRPV1, TRPV2, OPRL1 CREBBP 1544/4885SCN9A 114/4885SCN10A 103/4885
US-20040254188-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, OPRL1, TRPV2 CREBBP 1797/4885SCN9A 125/4885SCN10A 138/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 CREBBP 1699/4885SCN9A 135/4885SCN10A 141/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 CREBBP 1705/4885SCN9A 138/4885SCN10A 150/4885

“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.