SCHEMBL3020170

SCHEMBL3020170

CC(C)(C)OC(=O)N1CCC(c2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
NAMPT P43490 1/20 0.51
JAK2 O60674 1/20 0.51
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM4 P08173 1/20 0.49
GPR119 Q8TDV5 4/20 0.48
TP53 P04637 3/20 0.47
THRB P10828 3/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46

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
SCHEMBL12378803 0.89 NAMPT (0.52) RECQLNAMPTJAK2USP2SMN1; SMN2
SCHEMBL31270758 0.86 GAA (0.61) RECQLUSP2SMN1; SMN2GPR119TP53
SCHEMBL5205491 0.84 HRH3 (0.60) RECQLUSP2SMN1; SMN2GPR119HRH3
SCHEMBL7845430 0.84 ALDH1A1 (0.62) RECQLUSP2SMN1; SMN2MAPTHRH3
SCHEMBL5577703 0.83 NAMPT (0.57) NAMPTSMN1; SMN2GPR119TP53THRB
SCHEMBL28784126 0.83 HRH3 (0.46) SMN1; SMN2HRH3
SCHEMBL1722245 0.82 SMN1; SMN2 (0.57) NAMPTUSP2SMN1; SMN2GPR119LMNA
SCHEMBL2252152 0.82 GPR119 (0.60) NAMPTSMN1; SMN2GPR119TP53THRB
SCHEMBL10243179 0.82 NAMPT (0.58) NAMPTSMN1; SMN2GPR119TP53THRB
SCHEMBL522487 0.81 HRH3 (0.70) USP2SMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 RECQL 1074/4885NAMPT 1036/4885JAK2 4569/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 RECQL 1074/4885NAMPT 1036/4885JAK2 4569/4885

“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.