SCHEMBL2201870

SCHEMBL2201870

CCCN(CCC)CCCC(N)Cc1ccc(CN=Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
SLC6A4 P31645 1/20 0.33
MAPT P10636 2/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
CCR4 P51679 1/20 0.31
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4951701 0.80 KMT2A (0.37) KMT2AMAPTGRIN2DGRIN3BGRIN1
SCHEMBL2201874 0.79 SIGMAR1 (0.33) KMT2AMAPTGRIN2DGRIN3BGRIN1
SCHEMBL2204034 0.78 CA2 (0.42)
SCHEMBL2201877 0.78 SMN1; SMN2 (0.45) KMT2AMAPTNPSR1LMNARAB9A
SCHEMBL4951705 0.76 MAPT (0.33) KMT2AMAPTGRIN2DGRIN3BGRIN1
SCHEMBL12426462 0.74 KMT2A (0.45) KMT2AMAPTLMNARAB9A
SCHEMBL2201911 0.71 CXCR4 (0.34)
SCHEMBL2201909 0.71 CXCR4 (0.34)
SCHEMBL7573472 0.64 MAPT (0.41) KMT2AMAPTGRIN2DGRIN3BGRIN1
SCHEMBL7573468 0.64 MAPT (0.41) KMT2AMAPTGRIN2DGRIN3BGRIN1

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 2823/4885SLC6A4 405/4885MAPT 4530/4885

“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.