SCHEMBL4485565

SCHEMBL4485565

CC(C)[C@@H](NC(=O)c1cccc2ccccc12)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.73
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.45
PANK3 Q9H999 1/20 0.45
TGM2 P21980 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL4485569 1.00 CCR1 (0.73) CCR1MAPTSMN1; SMN2HTTMEN1
SCHEMBL4490287 0.89 CCR1 (0.80) CCR1MAPTSMN1; SMN2HTTMEN1
SCHEMBL4490291 0.89 CCR1 (0.80) CCR1MAPTSMN1; SMN2HTTMEN1
SCHEMBL4500020 0.85 CCR1 (1.00) CCR1MAPTSMN1; SMN2HTTMEN1
SCHEMBL4500331 0.85 CCR1 (1.00) CCR1MAPTSMN1; SMN2HTTMEN1
SCHEMBL4506394 0.81 CCR1 (0.85) CCR1MAPTSMN1; SMN2HTTMEN1
SCHEMBL4506391 0.81 CCR1 (0.85) CCR1MAPTSMN1; SMN2HTTMEN1
SCHEMBL4498651 0.81 CCR1 (0.84) CCR1MAPTSMN1; SMN2KMT2ATP53
SCHEMBL4498649 0.81 CCR1 (0.84) CCR1MAPTSMN1; SMN2KMT2ATP53
SCHEMBL4496539 0.81 CCR1 (0.84) CCR1MAPTSMN1; SMN2TP53PANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609664-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2013-12-17 US disclosed
EP-1973880-B1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-08-07 EP disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
US-7615556-B2 Piperazinyl derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-10 US disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 US disclosed
WO-2007087585-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-02 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 (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-20090298845-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 CCR1 3/4885MAPT 4559/4885SMN1; SMN2 4822/4885
US-20070179148-A1 PIPERAZINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CCR1 CCR1 3/4885MAPT 4559/4885SMN1; SMN2 4822/4885

“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.