SCHEMBL3881607

SCHEMBL3881607

COC(=O)[C@H](Cc1ccccc1)OC1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.51
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.41
PTPN1 P18031 1/20 0.40

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
SCHEMBL13311342 0.87 SRR (0.48) ITGB1ITGA4
SCHEMBL6487486 0.87 SRR (0.48) ITGB1ITGA4
SCHEMBL13311344 0.83 CYP1A2 (0.42) SLC6A3ITGB1ITGA4
Cyclohexylamine SCHEMBL8637515 0.81 SRR (0.45) ITGB1ITGA4
SCHEMBL7050550 0.79 SIGMAR1 (0.39) SLC6A3ITGB1ITGA4
SCHEMBL14330746 0.79 SLC6A3 (0.43) SLC6A3ITGB1ITGA4
SCHEMBL1743566 0.79 SLC6A3 (0.61) SLC6A3GAA
SCHEMBL14233517 0.79 SLC6A3 (0.61) SLC6A3GAA
SCHEMBL14211627 0.79 SLC6A3 (0.61) SLC6A3GAA
SCHEMBL9394999 0.78 ACE (0.49) SLC6A3L3MBTL1

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-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
US-7514430-B2 Piperizinones as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-07 US disclosed
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
WO-2003024401-A2 PIPERIZINONES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-03-27 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-20030144277-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 SLC6A3 2805/4885ITGB1 1614/4885ITGA4 1403/4885
US-20050261311-A1 Piperizinones as modulators of chemokine receptor activity CCR3, CCR1, CCR5 SLC6A3 2548/4885ITGB1 1922/4885ITGA4 1494/4885

“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.