SCHEMBL4754538

SCHEMBL4754538

O=[C]C1CCN(C(=O)CO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
AKR1C3 P42330 1/20 0.33
NAMPT P43490 1/20 0.33
EPHX2 P34913 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
BPTF Q12830 1/20 0.32
DPP4 P27487 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4756859 0.88 DPP4 (0.33) ALDH1A1NPC1BPTFDPP4MEN1
SCHEMBL16405710 0.82 ALDH1A1 (0.37) ALDH1A1NPC1AKR1C3NAMPTL3MBTL1
SCHEMBL16405709 0.82 DPP4 (0.39) ALDH1A1NPC1AKR1C3DPP4KDM4E
SCHEMBL2702633 0.82 CPN1 (0.47) ALDH1A1NPC1EPHX2L3MBTL1GNAI3
SCHEMBL4757322 0.81 KMT2A (0.43) ALDH1A1NPC1NAMPTL3MBTL1USP2
SCHEMBL7292080 0.79 NPC1 (0.47) ALDH1A1NPC1NAMPTEPHX2L3MBTL1
SCHEMBL17959731 0.79 ALDH1A1 (0.35) ALDH1A1NPC1AKR1C3NAMPT
SCHEMBL4756897 0.78 DPP4 (0.33) DPP4
SCHEMBL4757546 0.77 ALDH1A1 (0.41) ALDH1A1BPTFDPP4MEN1LMNA
SCHEMBL7295813 0.76 GNAI3 (0.55) NPC1L3MBTL1GNAI3GNAO1GNAI1

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 4 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 claimed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
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

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 ALDH1A1 3412/4885NPC1 2552/4885AKR1C3 1853/4885

“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.