SCHEMBL4031573

SCHEMBL4031573

O=C(O)CCc1nc(-c2ccccn2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
TDP1 Q9NUW8 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
ALOX15 P16050 2/20 0.51
ALPL P05186 1/20 0.51
PKM P14618 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TP53 P04637 1/20 0.51
F2 P00734 1/20 0.44
F12 P00748 1/20 0.44
PLAU P00749 1/20 0.44
PIN1 Q13526 1/20 0.43

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
SCHEMBL6439983 0.81 SMN1; SMN2 (0.55) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
Water SCHEMBL11605037 0.80 NR1H2 (0.55) NPC1RAB9AHSD17B10LMNAKDM4E
SCHEMBL3790857 0.80 SMN1; SMN2 (0.53) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
SCHEMBL30689181 0.79 SMN1; SMN2 (0.60) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
SCHEMBL27880002 0.77 SMN1; SMN2 (0.56) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
SCHEMBL505089 0.76 SMN1; SMN2 (0.47) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
SCHEMBL23488391 0.76 SMN1; SMN2 (0.53) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
SCHEMBL23153550 0.75 SMN1; SMN2 (0.58) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
SCHEMBL5451372 0.72 SMN1; SMN2 (0.55) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1
SCHEMBL18010783 0.72 SMN1; SMN2 (0.55) SMN1; SMN2TDP1NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP disclosed
US-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity MERRILL LYNCH CAPITAL, A DIVISION OF MERRILL LYNCH BUSINESS FINANCIAL SERVICES, INC. AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 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-20050250792-A1 Substituted piperidine compounds useful as modulators of chemokine receptor activity CXCR4, CXCR1, CXCR3 SMN1; SMN2 3217/4885TDP1 4291/4885NPC1 1456/4885

“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.