SCHEMBL4610243

SCHEMBL4610243

O=C1NC[C@@H](c2ccccc2)N1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NSD3 Q9BZ95 1/20 0.40
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GBA1 P04062 1/20 0.38
HTR6 P50406 1/20 0.36
KDM1A O60341 2/20 0.36
CISD1 Q9NZ45 1/20 0.36
SLC6A2 P23975 1/20 0.36
MAOB P27338 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL3815926 1.00 SLC18A3 (0.44) SLC18A3SIGMAR1NSD3KMT2AHPGD
SCHEMBL3859776 0.86 MEN1 (0.36) NSD3KMT2AMEN1
SCHEMBL3860582 0.85 ALDH1A1 (0.39) KMT2AHTR6HTR2AMEN1
SCHEMBL4597778 0.83 HTR2C (0.52) NSD3KMT2ASLC6A2MAOBHTR2A
SCHEMBL4597772 0.83 HTR2C (0.52) NSD3KMT2ASLC6A2MAOBHTR2A
SCHEMBL13116656 0.79 SLC18A3 (0.46) SLC18A3SIGMAR1NSD3KMT2AHPGD
Hydrochloric Acid SCHEMBL8415342 0.79 NPC1 (0.44) SLC18A3SIGMAR1KMT2AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL4049067 0.79 KDM1A (0.40) HTR6KDM1ASLC6A2HTR2ASLC6A4
SCHEMBL3861071 0.78 GBA1 (0.49) KMT2AGBA1SLC6A2SLC6A4MEN1
Hydrochloric Acid SCHEMBL8415510 0.76 FFAR4 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 SLC18A3 1545/4885SIGMAR1 1177/4885NSD3 4084/4885

“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.