SCHEMBL3090215

SCHEMBL3090215

NC(=O)c1ccc(CNCC2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.71
OPRM1 P35372 1/20 0.61
OPRD1 P41143 1/20 0.61
OPRK1 P41145 1/20 0.61
HDAC1 Q13547 3/20 0.57
HDAC3 O15379 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
PARP15 Q460N3 3/20 0.54
PARP10 Q53GL7 3/20 0.54
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
F2 P00734 1/20 0.47
CA2 P00918 1/20 0.46
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL20535887 0.83 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC8
SCHEMBL1787140 0.83 MEN1 (0.57) HDAC6OPRM1OPRD1OPRK1HDAC1
SCHEMBL1345988 0.83 MEN1 (0.57) HDAC6OPRM1OPRD1OPRK1HDAC1
SCHEMBL20535307 0.82 HDAC6 (0.68) HDAC6OPRM1OPRD1OPRK1HDAC1
SCHEMBL579934 0.82 HDAC6 (0.53) HDAC6OPRM1OPRD1OPRK1HDAC1
SCHEMBL7248082 0.80 HDAC6 (0.60) HDAC6OPRM1OPRD1OPRK1HDAC1
SCHEMBL3085761 0.80 HDAC6 (0.60) HDAC6OPRM1OPRD1OPRK1HDAC1
SCHEMBL5181789 0.80 PARP15 (0.49) HDAC6OPRM1OPRD1OPRK1HDAC1
SCHEMBL5332629 0.79 OPRM1 (0.58) HDAC6OPRM1OPRD1OPRK1HDAC1
SCHEMBL4965887 0.79 OPRM1 (0.58) HDAC6OPRM1OPRD1OPRK1HDAC1

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-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
EP-1765803-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-28 EP disclosed
US-20060293379-A1 Quaternary salt CCR2 antagonists KENVUE BRANDS LLC 2006-12-28 US disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 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-20060293379-A1 Quaternary salt CCR2 antagonists CCR2, CCR1, CXCR2 HDAC6 280/4885OPRM1 1410/4885OPRD1 829/4885

“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.