SCHEMBL5577998

SCHEMBL5577998

CC(=O)c1ccc2c(c1)CCN(C=O)CC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 2/20 0.50
HSD17B1 P14061 1/20 0.44
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
PDE4D Q08499 1/20 0.43
HDAC6 Q9UBN7 3/20 0.43
KCNJ1 P48048 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1C1 Q04828 1/20 0.40
NOTUM Q6P988 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
HSD17B3 P37058 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
Hydrochloric Acid SCHEMBL7086927 0.97 RAB9A (0.47) RAB9ANPC1MAPTHSD17B1MAPK1
SCHEMBL5578268 0.85 ALDH1A1 (0.61) MAPTMAPK1PDE4DHDAC6ALDH1A1
SCHEMBL7849056 0.83 RAB9A (0.46) RAB9ANPC1MAPTHSD17B1MAPK1
SCHEMBL13928814 0.83 NPC1 (0.56) RAB9ANPC1MAPTHSD17B1HDAC6
SCHEMBL29793289 0.80 NPC1 (0.67) RAB9ANPC1MAPTHSD17B1KCNJ1
SCHEMBL21584068 0.80 NPC1 (0.67) RAB9ANPC1MAPTHSD17B1KCNJ1
SCHEMBL3440214 0.80 RAB9A (0.53) RAB9ANPC1MAPTHSD17B1MAPK1
SCHEMBL1982216 0.79 RAB9A (0.51) RAB9ANPC1MAPTHSD17B1MAPK1
SCHEMBL12039308 0.79 MAOA (0.52) RAB9ANPC1MAPTHSD17B1MAPK1
SCHEMBL33121 0.77 ALDH1A1 (0.68) RAB9ANPC1MAPTHSD17B1KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 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 (4 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-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR RAB9A 1065/4885NPC1 1752/4885MAPT 2628/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR RAB9A 1065/4885NPC1 1752/4885MAPT 2628/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA RAB9A 3039/4885NPC1 469/4885MAPT 79/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 RAB9A 4170/4885NPC1 1334/4885MAPT 4394/4885

“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.