SCHEMBL2124403

SCHEMBL2124403

CCOC(OCC)c1ccc(CN(Cc2nccn2C)Cc2nccn2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
ACHE P22303 2/20 0.34
PTGS2 P35354 2/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL2123754 0.80 FGFR1 (0.35) CXCR4TSHRKMT2AACHEPTGS2
SCHEMBL369262 0.75 TSHR (0.45) CXCR4L3MBTL1TSHRKMT2AMEN1
SCHEMBL2123473 0.73 KMT2A (0.58) CXCR4L3MBTL1TSHRKMT2AMEN1
SCHEMBL6284422 0.72 L3MBTL1 (0.43) L3MBTL1NPC1RAB9AACHEPTGS2
SCHEMBL1206400 0.72 CXCR4 (0.48) CXCR4L3MBTL1TSHRKMT2AMEN1
SCHEMBL1205392 0.69 CXCR4 (0.53) CXCR4L3MBTL1KMT2AMEN1NPC1
SCHEMBL2046392 0.69 HRH3 (0.48) TSHRNPC1RAB9AACHEPTGS2
SCHEMBL13002587 0.69 MAPK1 (0.43) CXCR4TSHRKMT2AMEN1NPC1
SCHEMBL12087626 0.69 TSHR (0.43) CXCR4L3MBTL1TSHRKMT2AMEN1
SCHEMBL1638006 0.69 CXCR4 (0.60) CXCR4L3MBTL1TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476290-B2 Compound having spiro-bonded cyclic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20120101280-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed
EP-2444402-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 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 (1 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-20120101280-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF CXCR4, CXCL12, CCR5 CXCR4 1/4885L3MBTL1 1607/4885TSHR 2200/4885

“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.