SCHEMBL4754539

SCHEMBL4754539

O=CC1CCN(C(=O)CO)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
NAMPT P43490 1/20 0.36
AKR1C3 P42330 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
EPHX2 P34913 2/20 0.32
L3MBTL1 Q9Y468 1/20 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

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
SCHEMBL4756862 0.88 ALDH1A1 (0.33) ALDH1A1NPC1NAMPTSMN1; SMN2
SCHEMBL16761833 0.86 NAMPT (0.50) ALDH1A1NPC1NAMPTTPSAB1TPSD1
SCHEMBL4754581 0.84 NPC1 (0.44) ALDH1A1NPC1SMN1; SMN2GNAI3GNAO1
SCHEMBL22919353 0.82 EPHX2 (0.49) ALDH1A1NPC1EPHX2
SCHEMBL19310486 0.82 ALDH1A1 (0.37) ALDH1A1NPC1NAMPTAKR1C3SMN1; SMN2
SCHEMBL2702637 0.82 CPN1 (0.47) ALDH1A1NPC1NAMPTSMN1; SMN2GNAI3
SCHEMBL5006054 0.81 KMT2A (0.43) ALDH1A1NPC1SMN1; SMN2L3MBTL1
SCHEMBL7292087 0.79 NPC1 (0.47) ALDH1A1NPC1NAMPTEPHX2L3MBTL1
SCHEMBL12801482 0.79 SMYD3 (0.44) ALDH1A1NPC1SMN1; SMN2GNAI3GNAO1
SCHEMBL3831285 0.79 EPHX1 (0.43) ALDH1A1NPC1SMN1; SMN2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
EP-2921484-B1 OXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-2921485-B1 ISOXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-2921492-B1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES BAYER IP GMBH (DE) 2017-09-06 EP disclosed
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 2552/4885NAMPT 4382/4885

“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.