SCHEMBL528740

SCHEMBL528740

O=C(NCCCc1ccccc1S)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
EPHX2 P34913 1/20 0.51
RAB9A P51151 1/20 0.51
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
MTNR1A P48039 7/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MTNR1B P49286 6/20 0.48
NAAA Q02083 1/20 0.48
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 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
SCHEMBL21682750 0.96 NAMPT (0.55) NAMPTSMN1; SMN2NPC1PKMEPHX2
SCHEMBL6076194 0.81 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL5815460 0.80 EPHX1 (0.66) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL18342995 0.79 EPHX1 (0.63) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL528127 0.78 HPGD (0.42) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL5340060 0.77 MTNR1A (0.64) MTNR1AMTNR1B
SCHEMBL2795464 0.76 MTNR1A (0.59) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL5346108 0.76 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL5337721 0.76 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL9131349 0.76 MTNR1A (0.69) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3833336-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DalCor Pharma UK Ltd Leatherhead, Zug Branch (CH) 2021-06-16 EP claimed
WO-2020030814-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2020-02-13 WO claimed
EP-3261628-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER King Abdullah University Of Science And Technology (SA) 2018-01-03 EP claimed
WO-2016135633-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER KING ABDULLAH UNIVERSITY OF SCIENCE & TECHNOLOGY (SA) 2016-09-01 WO claimed
EP-1603553-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS JAPAN TOBACCO INC. (JP) 2005-12-14 EP claimed
WO-2004082593-A2 PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS JAPAN TOBACCO INC. (JP) 2004-09-30 WO claimed
EP-3833336-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DalCor Pharma UK Ltd Leatherhead, Zug Branch (CH) 2021-06-16 EP disclosed
WO-2020030814-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2020-02-13 WO disclosed
EP-3261628-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER King Abdullah University Of Science And Technology (SA) 2018-01-03 EP disclosed
WO-2016135633-A1 CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITION IN THE TREATMENT OF CANCER KING ABDULLAH UNIVERSITY OF SCIENCE & TECHNOLOGY (SA) 2016-09-01 WO disclosed
EP-2598158-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX Institut de Cardiologie de Montréal (CA) 2013-06-05 EP disclosed
WO-2012012870-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2012-02-02 WO disclosed
US-6753346-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS JAPAN TOBACCO INC. (JP) 2004-06-22 US disclosed
US-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents JAPAN TOBACCO, INC., A JAPAN CORPORATION 2003-05-15 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-20030092708-A1 Anticholesterol agents; cardiovascular disorders; antilipemic agents CETP, CES1, PON1 NAMPT 2487/4885SMN1; SMN2 4844/4885NPC1 8/4885

“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.