SCHEMBL6077704

SCHEMBL6077704

CS(=O)(=O)NC(=O)Cc1cc(Br)ccc1OCC(=O)N1CCN(Cc2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.47
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.43
MGLL Q99685 1/20 0.43
RECQL P46063 1/20 0.42

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
SCHEMBL6077870 0.90 CCR1 (0.57) CCR1MAPK1LMNASMN1; SMN2POLB
SCHEMBL6077520 0.87 CCR1 (0.62) CCR1
SCHEMBL6078596 0.86 CCR1 (0.51) CCR1
SCHEMBL6078599 0.86 CCR1 (0.51) CCR1
SCHEMBL4634663 0.83 CCR1 (0.40) CCR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6077486 0.81 CCR1 (0.72) CCR1MAPK1HSD17B10
SCHEMBL6077864 0.79 CCR1 (0.60) CCR1
SCHEMBL6077711 0.78 CCR1 (0.67) CCR1
SCHEMBL6076982 0.77 CCR1 (0.64) CCR1
SCHEMBL6077253 0.77 CCR1 (0.51) CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098212-B2 Piperazine derivatives BLUMBERG LAURA C 2006-08-29 US disclosed
EP-1583533-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS Pfizer Products Inc. (US) 2005-10-12 EP disclosed
EP-1438298-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY Pfizer Products Inc. (US) 2004-07-21 EP disclosed
US-20040092529-A1 Methods of using piperazine derivatives PFIZER INC 2004-05-13 US disclosed
WO-2004039376-A1 USE OF PIPERAZINE DERIVATIVES AS CCR1 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2004-05-13 WO disclosed
US-20040034034-A1 Novel piperazine derivatives BLUMBERG LAURA C (US) 2004-02-19 US disclosed
WO-2003035627-A1 PIPERAZINE DERIVATIVES WITH CCR1 RECEPTOR ANTAGONIST ACTIVITY PFIZER PRODUCTS INC. (US) 2003-05-01 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-20040092529-A1 Methods of using piperazine derivatives CCR1, CCR3, CCR5 CCR1 1/4885ALDH1A1 238/4885KDM4E 3422/4885
US-20040034034-A1 Novel piperazine derivatives CCR1, CCRL2, CCR5 CCR1 1/4885ALDH1A1 373/4885KDM4E 3300/4885

“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.