SCHEMBL4598376

SCHEMBL4598376

Cc1cccc(C2COC(=O)N2C2CCNCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.50
CYP19A1 P11511 1/20 0.39
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
AR P10275 2/20 0.37
HSD11B1 P28845 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADRB1 P08588 1/20 0.35
NSD3 Q9BZ95 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
MAOB P27338 1/20 0.34
ALOX15B O15296 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL4598369 1.00 HTR2C (0.50) HTR2CCYP19A1ALOX15ALOX12AR
SCHEMBL4597972 0.85 HTR6 (0.41) HTR2CHDAC1HDAC6ADRB1HTR2A
SCHEMBL4597968 0.85 HTR6 (0.41) HTR2CHDAC1HDAC6ADRB1HTR2A
SCHEMBL3759047 0.84 SLC18A3 (0.42) KMT2ANSD3
SCHEMBL6498015 0.84 SLC18A3 (0.42) KMT2ANSD3
SCHEMBL3759045 0.84 SLC18A3 (0.42) KMT2ANSD3
SCHEMBL4597772 0.80 HTR2C (0.52) HTR2CHSD11B1MEN1KMT2APOLB
SCHEMBL4597778 0.80 HTR2C (0.52) HTR2CHSD11B1MEN1KMT2APOLB
SCHEMBL4597612 0.78 GPR119 (0.52) MEN1KMT2AHDAC1HDAC6
SCHEMBL5576090 0.78 GPR119 (0.52) MEN1KMT2AHDAC1HDAC6

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 3 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
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 HTR2C 2045/4885CYP19A1 4713/4885ALOX15 2185/4885

“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.