SCHEMBL8655376

SCHEMBL8655376

O=C(O)CNc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
HTR2B P41595 2/20 0.46
HTR7 P34969 1/20 0.46
PNMT P11086 1/20 0.44
PARP1 P09874 1/20 0.40
CDC25A P30304 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SRD5A2 P31213 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AGTR1 P30556 1/20 0.39
CD69 Q07108 1/20 0.38
HPGD P15428 2/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL8012168 0.84 RAB9A (0.59) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL1156914 0.80 NPC1 (0.74) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7598451 0.78 ALDH1A1 (0.39) RAB9ANPC1PARP1KDM4EALDH1A1
SCHEMBL15671164 0.78 RAB9A (0.51) RAB9ANPC1PNMTKDM4EALDH1A1
SCHEMBL8523597 0.78 NPC1 (0.58) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL29171790 0.78 NPC1 (0.54) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL14037316 0.77 DRD2 (0.57) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL1567603 0.76 RAB9A (0.74) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL15546984 0.76 NPC1 (0.53) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL15546982 0.76 NPC1 (0.53) RAB9ANPC1HTR2BHTR7PNMT

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
US-9938321-B2 Cyclic peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2018-04-10 US disclosed
WO-2014159937-A1 CYCLIC PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY (US) 2014-10-02 WO disclosed
US-20140274916-A1 CYCLIC PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NATIONAL SCIENCE FOUNDATION 2014-09-18 US disclosed
EP-0741743-B1 CYCLIC NEUROKININ A ANTAGONISTS MERRELL PHARMA INC (US) 1998-10-14 EP disclosed
EP-0741743-A1 CYCLIC NEUROKININ A ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1996-11-13 EP disclosed
US-5521156-A HEXAPEPTIDES AND OCTAPEPTIDES MERRELL PHARMACEUTICALS INC. (US) 1996-05-28 US disclosed
WO-1995021187-A1 CYCLIC NEUROKININ A ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1995-08-10 WO disclosed
EP-0528172-A1 (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists J. URIACH & CIA. S.A. (ES) 1993-02-24 EP 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-20140274916-A1 CYCLIC PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NGLY1, FPR1, REV1 RAB9A 3235/4885NPC1 315/4885HTR2B 3404/4885

“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.