SCHEMBL3098557

SCHEMBL3098557

O=C(c1ccc(Cl)cc1NCc1ccccc1)N1CC(O)C(N2CCN(Cc3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
SLC6A12 P48065 1/20 0.42
FAAH O00519 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
MEN1 O00255 1/20 0.41
DRD4 P21917 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13604133 1.00 L3MBTL1 (0.45) L3MBTL1TP53BP1L3MBTL3SLC6A12FAAH
SCHEMBL13157799 1.00 L3MBTL1 (0.45) L3MBTL1TP53BP1L3MBTL3SLC6A12FAAH
SCHEMBL13157813 0.96 TP53BP1 (0.39) L3MBTL1TP53BP1L3MBTL3FAAHTP53
SCHEMBL3107837 0.96 TP53BP1 (0.39) L3MBTL1TP53BP1L3MBTL3FAAHTP53
SCHEMBL3100379 0.89 TP53BP1 (0.54) L3MBTL1TP53BP1L3MBTL3MAPK8MAPK10
SCHEMBL13157797 0.89 TP53BP1 (0.54) L3MBTL1TP53BP1L3MBTL3MAPK8MAPK10
SCHEMBL13604130 0.89 TP53BP1 (0.54) L3MBTL1TP53BP1L3MBTL3MAPK8MAPK10
SCHEMBL13157832 0.88 FAAH (0.47) L3MBTL1TP53BP1L3MBTL3SLC6A12FAAH
SCHEMBL3099993 0.88 FAAH (0.47) L3MBTL1TP53BP1L3MBTL3SLC6A12FAAH
SCHEMBL13157819 0.87 F10 (0.44) SLC6A12FAAHSMN1; SMN2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 L3MBTL1 4317/4885TP53BP1 3833/4885L3MBTL3 4678/4885

“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.