SCHEMBL4756904

SCHEMBL4756904

O=C(OCc1ccccc1)C1CCN(C(=O)CO)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP2C19 P33261 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 2/20 0.51
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL17307104 0.88 NPC1 (0.59) RAB9ANPC1SMN1; SMN2CYP2C19L3MBTL1
SCHEMBL205217 0.87 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2CYP2C19L3MBTL1
SCHEMBL1222959 0.86 POLB (0.71) RAB9ANPC1SMN1; SMN2CYP2C19L3MBTL1
SCHEMBL3560869 0.84 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2CYP2C19L3MBTL1
SCHEMBL7014898 0.82 MAPT (0.58) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL280126 0.82 FABP7 (0.58) RAB9ANPC1SMN1; SMN2CYP2C19L3MBTL1
SCHEMBL10917021 0.82 FABP7 (0.58) RAB9ANPC1SMN1; SMN2CYP2C19L3MBTL1
SCHEMBL6666657 0.82 FABP7 (0.58) RAB9ANPC1SMN1; SMN2CYP2C19L3MBTL1
SCHEMBL6642777 0.82 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2CYP2C19L3MBTL1
SCHEMBL13287204 0.81 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
WO-2007089031-A1 PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-09 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 (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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR RAB9A 1573/4885NPC1 2552/4885SMN1; SMN2 4526/4885

“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.