SCHEMBL6717616

SCHEMBL6717616

Cc1nc2c(o1)CCc1ccccc1C2OCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CRHR1 P34998 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRK1 P41145 1/20 0.32
CHRNA7 P36544 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
HIF1A Q16665 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 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
SCHEMBL7777188 0.84 L3MBTL1 (0.53) HTTL3MBTL1TSHRCNR1CNR2
SCHEMBL8712643 0.77 RET (0.44) CYP2D6CHRNA7CYP3A4HIF1ACHRNB2
SCHEMBL14156015 0.77 HTT (0.54) HTTL3MBTL1TSHRALDH1A1CYP2D6
SCHEMBL6719612 0.65 KCNA3 (0.42) L3MBTL1TSHRALDH1A1HSD17B10
SCHEMBL19359157 0.63 IDO1 (0.56)
SCHEMBL9080768 0.63 LTA4H (0.46) L3MBTL1OPRM1
Methane SCHEMBL10973755 0.62 RET (0.43) ALDH1A1
SCHEMBL8715328 0.62 RET (0.44) CYP2D6CHRNA7CYP3A4HIF1ACHRNB2
SCHEMBL8334133 0.62 IDO1 (0.60) HTTTSHRALDH1A1
SCHEMBL30729415 0.62 RET (0.66) CNR1MAPTALDH1A1CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040229899-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) JEPPESEN LONE (DK) 2004-11-18 US disclosed
US-6723731-B2 3-(4-(2-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLOXY)-ETHOXYL-PHENYL)-2 -ETHOXY-PROPIONIC ACID ETHYL ESTER AS ANTIDIABETIC AGENTS AND TO TREAT OBESITY NOVO NORDISK A/S (DK) 2004-04-20 US disclosed
US-6602901-B2 Antidiabetic agents, obesity NOVO NORDISK A/S (DK) 2003-08-05 US disclosed
US-6525086-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2003-02-25 US disclosed
US-6407127-B2 3-(4-(2-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLOXY)-ETHOXYL-PHENYL)-2 -ETHOXY-PROPIONIC ACID ETHYL ESTER AS ANTIDIABETIC AGENTS AND TO TREAT OBESITY NOVO NORDISK A/S (DK) 2002-06-18 US disclosed
US-20010031764-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors(PPAR) JEPPESEN LONE (DK) 2001-10-18 US disclosed
US-20010031762-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) JEPPESEN LONE (DK) 2001-10-18 US disclosed
US-20010031786-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) JEPPESEN LONE (DK) 2001-10-18 US disclosed
US-20010029256-A1 New compounds, their preparation and use LEGO A/S (DK) 2001-10-11 US disclosed
EP-1123268-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-16 EP disclosed
EP-1123269-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-08-16 EP disclosed
US-6248781-B1 ANTIDIABETIC AGENTS; DIETETICS NOVO NORDISK A/S (DK) 2001-06-19 US disclosed
US-6214820-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS NOVO NORDISK A/S (DK) 2001-04-10 US disclosed
WO-2000023417-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 WO disclosed
WO-2000023416-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-04-27 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-20010031762-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) PPARG, PPARA, PPARD HTT 3329/4885L3MBTL1 2803/4885TSHR 204/4885
US-20010031786-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) PPARG, PPARA, PPARD HTT 3329/4885L3MBTL1 2803/4885TSHR 204/4885
US-20010031764-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors(PPAR) PPARG, PPARA, PPARD HTT 3329/4885L3MBTL1 2803/4885TSHR 204/4885
US-20010029256-A1 New compounds, their preparation and use PPARG, PPARA, PPARD HTT 2958/4885L3MBTL1 4182/4885TSHR 157/4885
US-20040229899-A1 Compounds useful in the treatment of conditions mediated by peroxisome proliferator-activated receptors (PPAR) PPARG, PPARA, PPARD HTT 3329/4885L3MBTL1 2803/4885TSHR 204/4885

“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.