SCHEMBL1722245

SCHEMBL1722245

CC(C)(C)OC(=O)N1CCN(c2ccc(CN3CCOCC3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP2C19 P33261 1/20 0.55
USP2 O75604 2/20 0.54
HRH3 Q9Y5N1 2/20 0.51
GPR119 Q8TDV5 5/20 0.51
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
TSHR P16473 2/20 0.49
NAMPT P43490 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
SCHEMBL18210853 0.95 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL13344709 0.88 SMN1; SMN2 (0.57) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL522487 0.87 HRH3 (0.70) SMN1; SMN2MEN1KMT2AUSP2HRH3
SCHEMBL5569584 0.86 GPR119 (0.58) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL4826310 0.86 SIGMAR1 (0.54) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL13369337 0.85 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL20306312 0.83 MAPT (0.62) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL5573222 0.83 MAPT (0.76) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL4826784 0.82 FKBP1A (0.58) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL3020170 0.82 RECQL (0.51) SMN1; SMN2MAPTLMNAUSP2HRH3

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 17 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-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 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
EP-2404911-A1 Novel processes for the preparation of piperazinyl and diazapanyl benzamide derivatives Janssen Pharmaceutica NV (BE) 2012-01-11 EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 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
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
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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 (3 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 SMN1; SMN2 4550/4885HTT 1929/4885NPSR1 4147/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885HTT 4784/4885NPSR1 3011/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 SMN1; SMN2 2202/4885HTT 4784/4885NPSR1 3011/4885

“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.