SCHEMBL3878448

SCHEMBL3878448

CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CC(=O)N[C@@H](Cc3ccccc3F)C2)nc1C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 20/20 0.59
CYP2D6 P10635 19/20 0.59
CXCR1 P25024 1/20 0.59
CXCR2 P25025 1/20 0.59
CCR1 P32246 1/20 0.59
CCR2 P41597 1/20 0.59
CCR5 P51681 1/20 0.59
DRD2 P14416 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3890000 0.90 CCR3 (0.62) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3889995 0.90 CCR3 (0.62) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3890005 0.88 CCR3 (0.73) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3880250 0.88 CCR3 (0.73) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3877585 0.85 CCR3 (0.62) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3880956 0.85 CCR3 (0.62) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3880269 0.83 CCR3 (0.55) CCR3CYP2D6DRD2SLC6A2HTR2A
SCHEMBL3880520 0.81 CCR3 (0.55) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3880262 0.79 CCR3 (0.61) CCR3CYP2D6CXCR1CXCR2CCR1
SCHEMBL3880502 0.77 CCR3 (0.56) CCR3CYP2D6CXCR1CXCR2CCR1

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-6974869-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US claimed
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity DELUCCA GEORGE V 2005-11-24 US claimed
US-20030144277-A1 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-31 US claimed
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 CCR3 1/4885CYP2D6 2646/4885CXCR1 17/4885
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 CCR3 1/4885CYP2D6 2924/4885CXCR1 18/4885

“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.