SCHEMBL3296996

SCHEMBL3296996

CC(C)(C)OC(=O)N1CCC(C(=O)CCl)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.59
RECQL P46063 1/20 0.56
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN6 P29350 1/20 0.51
EPHX1 P07099 1/20 0.49
STS P08842 5/20 0.48
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL3606330 0.94 HPGD (0.61) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL6105130 0.85 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL16604392 0.85 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL20353737 0.84 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL1002397 0.84 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL14622828 0.84 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
Methylene Chloride SCHEMBL27882742 0.84 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL30258893 0.83 NR1H2 (0.51) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL2006303 0.83 HPGD (0.65) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL21994463 0.83 HPGD (0.57) HPGDRECQLPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061759-B1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-03-27 EP disclosed
EP-2061759-B1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-03-27 EP disclosed
US-8324251-B2 Cyclic modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-8324251-B2 Cyclic modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-8324251-B2 Cyclic modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20100093798-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-20100093798-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-20100093798-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7557104-B2 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-07 US disclosed
US-7557104-B2 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-07 US disclosed
EP-2061759-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Brystol-Myers Squibb Company (US) 2009-05-27 EP disclosed
WO-2008042926-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 WO disclosed
WO-2008042926-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-10 WO disclosed
US-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2008-01-31 US disclosed
US-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2008-01-31 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-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS CHEK1, CHEK2, CDKN1A HPGD 3423/4885RECQL 1008/4885PTPN2 182/4885
US-20100093798-A1 CYCLIC MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CXCR1, CCR3 HPGD 1182/4885RECQL 1120/4885PTPN2 835/4885

“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.