SCHEMBL4553227

SCHEMBL4553227

CC(C(=O)O)N1CCCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.50
GRM7 Q14831 1/20 0.49
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL4143391 0.90 GAA (0.55) NOTUMSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL27643466 0.89 NOTUM (0.55) NOTUMSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL10203776 0.88 NOTUM (0.58) NOTUMSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL10165554 0.86 NOTUM (0.53) NOTUMSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL10203615 0.85 NOTUM (0.51) NOTUMSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL10165382 0.84 NOTUM (0.50) NOTUMSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL31677529 0.81 SMN1; SMN2 (0.51) NOTUMSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL22381380 0.81 NPSR1 (0.48) NOTUMSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL7112322 0.81 NOTUM (0.50) NOTUMSMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL9315735 0.80 NOTUM (0.51) NOTUMSMN1; SMN2MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117177969-A Compound with benzyloxy aryl ether structure, preparation method and application thereof 中国科学院上海药物研究所 2023-12-05 CN disclosed
US-8785474-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof to treat pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-22 US disclosed
US-8084484-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-12-08 US disclosed
US-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 US disclosed
US-6099625-A Ink composition ZENECA LIMITED (GB) 2000-08-08 US disclosed
EP-0823927-A2 INK COMPOSITION ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996034916-A2 INK COMPOSITION ZENECA LIMITED (GB) 1996-11-07 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 (2 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 NOTUM 2673/4885SMN1; SMN2 3235/4885MEN1 4562/4885
US-20110301156-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof to Treat Pain and Other Conditions TRPV1, OPRL1, TRPV2 NOTUM 2452/4885SMN1; SMN2 3189/4885MEN1 4470/4885

“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.