SCHEMBL2201408

SCHEMBL2201408

CCCN(CCC)CCCCC(N)C(CNCc1nccn1C)c1ccc(Cc2ncc[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.50
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL2201401 0.80 CXCR4 (0.48) CXCR4MEN1KMT2A
SCHEMBL2201589 0.79 CXCR4 (0.47) CXCR4MEN1KMT2A
SCHEMBL2201590 0.78 CXCR4 (0.46) CXCR4MEN1KMT2A
SCHEMBL2201405 0.77 CXCR4 (0.50) CXCR4
SCHEMBL4951927 0.73 CXCR4 (0.49) CXCR4MEN1KMT2A
SCHEMBL4951938 0.73 CXCR4 (0.53) CXCR4KMT2A
SCHEMBL1205927 0.70 CXCR4 (0.76) CXCR4MEN1KMT2ATAAR1
SCHEMBL2201582 0.69 CXCR4 (0.47) CXCR4MEN1KMT2A
SCHEMBL2201404 0.69 CXCR4 (0.35) CXCR4TAAR1
SCHEMBL1637422 0.68 CXCR4 (0.85) CXCR4TAAR1

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 CXCR4 2546/4885MEN1 1672/4885KMT2A 2823/4885

“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.