SCHEMBL4597968

SCHEMBL4597968

O=C1OC[C@@H](c2cccc(Cl)c2)N1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
PIK3C3 Q8NEB9 2/20 0.38
DRD2 P14416 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
TP53 P04637 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL4597972 1.00 HTR6 (0.41) HTR6PIK3C3DRD2GABRA1GABRG2
SCHEMBL4598369 0.85 HTR2C (0.50) ADRB1HTR2AHTR2CHTR2BHDAC1
SCHEMBL4598376 0.85 HTR2C (0.50) ADRB1HTR2AHTR2CHTR2BHDAC1
SCHEMBL3759045 0.84 SLC18A3 (0.42) HTR6SIGMAR1HPGD
SCHEMBL6498015 0.84 SLC18A3 (0.42) HTR6SIGMAR1HPGD
SCHEMBL3759047 0.84 SLC18A3 (0.42) HTR6SIGMAR1HPGD
SCHEMBL5575539 0.78 STS (0.48) TP53MAPTHDAC1HDAC6
SCHEMBL5575543 0.78 STS (0.48) TP53MAPTHDAC1HDAC6
SCHEMBL14571188 0.77 ALDH1A1 (0.40) HTR6PIK3C3DRD2TP53CYP2C9
SCHEMBL4610004 0.75 CCR5 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HTR6 1852/4885PIK3C3 4441/4885DRD2 1758/4885

“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.