SCHEMBL5650658

SCHEMBL5650658

O=C(O)NCC1COCCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.47
ALDH1A1 P00352 1/20 0.43
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
CCR2 P41597 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5072741 0.87 ALDH1A1 (0.42) SCN9AALDH1A1HTTUSP2NPC1
SCHEMBL1597242 0.87 SCN9A (0.49) SCN9AALDH1A1HTTUSP2CCR2
SCHEMBL6176496 0.84 KMT2A (0.47) SCN9AALDH1A1
SCHEMBL6176499 0.84 KMT2A (0.47) SCN9AALDH1A1
SCHEMBL8569545 0.82 LTA4H (0.42) SCN9A
SCHEMBL3234426 0.82 ALDH1A1 (0.43) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL6180101 0.81 HPGD (0.51) SMN1; SMN2
SCHEMBL6180105 0.81 HPGD (0.51) SMN1; SMN2
SCHEMBL310438 0.81 CXCR4 (0.49) ALDH1A1
SCHEMBL1190365 0.81 CXCR4 (0.49) ALDH1A1

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-7223776-B2 Compounds with anti-bacterial activity MORPHOCHEM AG (DE) 2007-05-29 US disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 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-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 SCN9A 1796/4885ALDH1A1 2434/4885HTT 4835/4885

“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.