SCHEMBL3878037

SCHEMBL3878037

N[C@@H]1CCCCC1CN1CC(=O)N[C@@H](Cc2ccc(F)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
OPRK1 P41145 4/20 0.35
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACKR3 P25106 1/20 0.33
MEN1 O00255 1/20 0.33
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ALPL P05186 1/20 0.32
GHSR Q92847 2/20 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
SCHEMBL3878033 1.00 HDAC6 (0.41) HDAC6HDAC1HDAC8OPRK1USP2
SCHEMBL13867668 1.00 HDAC6 (0.41) HDAC6HDAC1HDAC8OPRK1USP2
SCHEMBL13867671 0.84 HDAC6 (0.41) HDAC6HDAC1HDAC8OPRK1
SCHEMBL3889004 0.78 CCR3 (0.37) USP2HTTALDH1A1TSHR
SCHEMBL13867614 0.78 CCR3 (0.37) USP2HTTALDH1A1TSHR
SCHEMBL3889008 0.78 CCR3 (0.37) USP2HTTALDH1A1TSHR
SCHEMBL7112217 0.75 HDAC6 (0.46) HDAC6HDAC1HDAC8OPRK1NPSR1
SCHEMBL3878046 0.75 HDAC6 (0.46) HDAC6HDAC1HDAC8OPRK1NPSR1
SCHEMBL873682 0.74 HDAC6 (0.68) HDAC6HDAC1HDAC8OPRK1NPSR1
SCHEMBL3492181 0.74 HDAC6 (0.68) HDAC6HDAC1HDAC8OPRK1NPSR1

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
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-6974869-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity DELUCCA GEORGE V 2005-11-24 US disclosed
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-31 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 (2 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-20030144277-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 HDAC6 538/4885HDAC1 339/4885HDAC8 1112/4885
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 HDAC6 550/4885HDAC1 466/4885HDAC8 1115/4885

“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.