SCHEMBL1855772

SCHEMBL1855772

CC(C)c1ccc(C(=O)CCCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.68
POLB P06746 1/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
CYP2C9 P11712 1/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MPI P34949 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL2923903 0.89 USP5 (0.64) USP5POLBMEN1KMT2AL3MBTL1
SCHEMBL30089581 0.88 USP5 (0.85) USP5POLBMEN1KMT2AL3MBTL1
SCHEMBL4871741 0.84 USP5 (0.72) USP5POLBMEN1KMT2AL3MBTL1
SCHEMBL8662414 0.84 GSK3B (0.63) USP5POLBMEN1KMT2AL3MBTL1
SCHEMBL11464173 0.82 USP5 (0.70) USP5POLBMEN1KMT2AL3MBTL1
SCHEMBL3629656 0.81 USP5 (0.73) USP5POLBMEN1KMT2AL3MBTL1
SCHEMBL2488240 0.81 USP5 (1.00) USP5POLBMEN1KMT2AL3MBTL1
SCHEMBL653535 0.79 GSK3B (0.68) MEN1KMT2AL3MBTL1RAB9ASMN1; SMN2
SCHEMBL269939 0.79 USP5 (0.66) USP5POLBMEN1KMT2AL3MBTL1
SCHEMBL9712507 0.79 GSK3B (0.68) MEN1KMT2AL3MBTL1RAB9ASMN1; 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
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
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-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 (3 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 USP5 3373/4885POLB 3955/4885MEN1 3490/4885
US-20050043351-A1 Fused compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ARRB1, TRPV1, TRPV5 USP5 3301/4885POLB 3902/4885MEN1 3281/4885
US-20120190845-A1 FUSED COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ARRB1, TRPV1, TRPV5 USP5 3373/4885POLB 3955/4885MEN1 3490/4885

“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.