SCHEMBL6345527

SCHEMBL6345527

COCC(=O)N1CC[C@@H](NC(=O)Nc2nc(C)c(C(C)=O)s2)[C@H](CN2CCCC(Cc3ccc(F)cc3)C2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 20/20 1.00
CCR3 P51677 20/20 1.00
CXCR1 P25024 1/20 0.77
CXCR2 P25025 1/20 0.77
CCR1 P32246 1/20 0.77
CCR2 P41597 1/20 0.77
CCR5 P51681 1/20 0.77

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
SCHEMBL6345522 1.00 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1
SCHEMBL6342454 0.95 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1
SCHEMBL6342459 0.95 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1
SCHEMBL18844249 0.95 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1
SCHEMBL6344942 0.93 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1
SCHEMBL18840990 0.93 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1
SCHEMBL6344948 0.93 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1
SCHEMBL6353140 0.92 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1
SCHEMBL6353137 0.92 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1
SCHEMBL6983425 0.92 CYP2D6 (1.00) CYP2D6CCR3CXCR1CXCR2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US claimed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US claimed
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 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-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CYP2D6 2961/4885CCR3 1/4885CXCR1 16/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 CYP2D6 2961/4885CCR3 1/4885CXCR1 16/4885

“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.