SCHEMBL2201355

SCHEMBL2201355

CCCN(CCC)CCCCN(Cc1ccc(CNCc2nccn2C)cc1)C(C)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CXCR4 P61073 3/20 0.44
LMNA P02545 1/20 0.34
OPRK1 P41145 1/20 0.33
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL2201359 0.83 CXCR4 (0.47) KMT2AMEN1CXCR4LMNA
SCHEMBL2201582 0.83 CXCR4 (0.47) KMT2AMEN1CXCR4LMNA
SCHEMBL2206056 0.82 CXCR4 (0.54) CXCR4
SCHEMBL2202937 0.79 CXCR4 (0.38) CXCR4
SCHEMBL2202949 0.79 CXCR4 (0.38) CXCR4
SCHEMBL12426518 0.79 CXCR4 (0.49) KMT2AMEN1CXCR4
SCHEMBL1638428 0.76 DRD4 (0.52) KMT2AMEN1CXCR4NPC1
SCHEMBL2200590 0.76 RORC (0.34) KMT2A
SCHEMBL2201589 0.75 CXCR4 (0.47) KMT2AMEN1CXCR4OPRK1
Hydrochloric Acid SCHEMBL2202811 0.75 KMT2A (0.34) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed
US-20080293951-A1 Amin Derivative, and Production Method and Use Thereof KUREHA CORPORATION 2008-11-27 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 (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-20080293951-A1 Amin Derivative, and Production Method and Use Thereof BCAT2, BCAT1, MRPL9 KMT2A 2823/4885MEN1 1672/4885CXCR4 2546/4885

“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.