SCHEMBL4429861

SCHEMBL4429861

Cc1cc(N2CCNCC2C(=O)OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.36
RXRB P28702 1/20 0.33
TACR1 P25103 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
MYC P01106 2/20 0.32
KLKB1 P03952 1/20 0.32
CTSB P07858 1/20 0.32
ELANE P08246 1/20 0.32
MMP9 P14780 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CASP3 P42574 1/20 0.32
HTR2C P28335 8/20 0.32

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
SCHEMBL5863476 0.83 MAPT (0.39) CASP3
SCHEMBL27561229 0.81 SLC6A2 (0.44) SLC6A4SLC6A3USP2HSD17B10HTR2C
SCHEMBL8695329 0.80 TACR1 (0.42) TACR1MYCHSD17B10HTR2CNR4A1
SCHEMBL6543170 0.78 HTT (0.42) HPGDNPSR1GPR119
SCHEMBL7519138 0.77 ALDH1A1 (0.34) RAD52SLC6A4SLC6A3MMP9NPSR1
SCHEMBL4425930 0.77 MEN1 (0.40) MEN1KMT2A
SCHEMBL30431136 0.77 TACR1 (0.37) TACR1HTR2CHTR2BHTR2A
SCHEMBL4615210 0.76 GPR119 (0.36) GPR119
SCHEMBL5674603 0.76 MAPT (0.50)
SCHEMBL5377547 0.75 CHRNB2 (0.39) MMP9CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
US-5780480-A THROMBOLYTIC AGENTS, ANTICOAGULANTS MERCK & CO., INC. (US) 1998-07-14 US 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 (1 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 RAD52 4642/4885RXRB 438/4885TACR1 10/4885

“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.