SCHEMBL3110330

SCHEMBL3110330

CC(C)(C)OC(=O)N1C=CC(=O)C=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PREP P48147 1/20 0.34
ESR2 Q92731 1/20 0.34
ELANE P08246 1/20 0.34
PDK4 Q16654 1/20 0.34
SETD7 Q8WTS6 1/20 0.33
BUB1 O43683 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 1/20 0.33
ATM Q13315 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL8120965 0.77 ESR2 (0.38) MAPTKDM4ETHRBESR2PDK4
SCHEMBL1838102 0.76 PREP (0.37) MAPTPREPESR2ELANEPDK4
SCHEMBL17267602 0.75 ESR2 (0.38) MAPTPREPESR2ELANEPDK4
SCHEMBL28856336 0.75 CHRM2 (0.38) MAPTPREPESR2ELANEPDK4
Hydrochloric Acid SCHEMBL28241841 0.75 PREP (0.36) MAPTPREPESR2ELANEPDK4
SCHEMBL22720838 0.75 NR1H2 (0.41) MAPTKDM4ETHRBESR2ELANE
SCHEMBL10081639 0.74 POLB (0.37) MAPTKDM4ETHRBTP53ESR2
SCHEMBL15390474 0.74 NR1H2 (0.39) MAPTKDM4ETHRBESR2PDK4
SCHEMBL2600437 0.73 SMN1; SMN2 (0.56) MAPTKDM4ETHRBESR2ELANE
SCHEMBL28970107 0.73 PREP (0.36) MAPTTP53ALOX15HSD17B10PREP

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-20100256048-A1 POLYPEPTIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2204379-A1 POLYPEPTIDE COMPOUND Astellas Pharma Inc. (JP) 2010-07-07 EP disclosed
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 US disclosed
EP-1558577-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-08-03 EP disclosed
WO-2004005256-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 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-20100256048-A1 POLYPEPTIDE COMPOUND VIP, ANPEP, NPEPPS MAPT 3126/4885KDM4E 3427/4885THRB 4348/4885
US-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 MAPT 3039/4885KDM4E 3316/4885THRB 175/4885

“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.