SCHEMBL4073795

SCHEMBL4073795

C1COCC2CCNC2C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL4075621 0.86
SCHEMBL14760006 0.83 MBTD1 (0.31) MBTD1L3MBTL3
SCHEMBL22313951 0.83 MBTD1 (0.38) MBTD1L3MBTL3SLC6A2SLC6A4SLC6A3
SCHEMBL4065358 0.83 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL16877787 0.83 MBTD1 (0.31) MBTD1L3MBTL3
SCHEMBL23341475 0.81
SCHEMBL16878721 0.80
SCHEMBL16877684 0.78 MBTD1 (0.34) MBTD1L3MBTL3SLC6A2SLC6A4SLC6A3
SCHEMBL16877471 0.77
SCHEMBL23578789 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
WO-2015103583-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-09 WO disclosed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 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 (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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 MBTD1 2314/4885L3MBTL3 3592/4885SLC6A2 4309/4885
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 MBTD1 3711/4885L3MBTL3 2865/4885SLC6A2 928/4885

“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.