SCHEMBL4499301

SCHEMBL4499301

CC(=O)Nc1ccccc1C(=O)N[C@@H](C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.55
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MT-CO2 P00403 1/20 0.44
TP53 P04637 3/20 0.44
PANK3 Q9H999 1/20 0.44
NPY2R P49146 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL4499304 1.00 CCR1 (0.55) CCR1MAPTSMN1; SMN2MT-CO2TP53
SCHEMBL4501059 0.90 CCR1 (0.60) CCR1MAPTSMN1; SMN2TP53PANK3
SCHEMBL4501065 0.90 CCR1 (0.60) CCR1MAPTSMN1; SMN2TP53PANK3
SCHEMBL13606397 0.84 CCR1 (0.75) CCR1MAPTSMN1; SMN2TP53PANK3
SCHEMBL4502653 0.83 CCR1 (0.59) CCR1MAPTSMN1; SMN2TP53PANK3
SCHEMBL4502651 0.83 CCR1 (0.59) CCR1MAPTSMN1; SMN2TP53PANK3
SCHEMBL4492312 0.80 CCR1 (0.62) CCR1MAPTSMN1; SMN2TP53PANK3
SCHEMBL4492308 0.80 CCR1 (0.62) CCR1MAPTSMN1; SMN2TP53PANK3
Trifluoroacetic Acid SCHEMBL4485074 0.80 CCR1 (0.68) CCR1MAPTSMN1; SMN2TP53PANK3
SCHEMBL4493323 0.79 CCR1 (0.64) CCR1MAPTSMN1; SMN2POLBTSHR

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 13 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
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.