SCHEMBL17490342

SCHEMBL17490342

CCC(O)(c1ccc(C)cn1)c1ccc(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
PLAU P00749 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 5/20 0.34
HPGD P15428 2/20 0.33
PDE10A Q9Y233 1/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL17828092 0.78 CCR1 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL217684 0.78 CCR1 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL133859 0.77 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL16132535 0.77 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL18904235 0.76 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL17819470 0.76 NOS3 (0.43) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL20708030 0.76 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL19984394 0.75 CCR1 (0.44) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL146646 0.73 CCR1 (0.52) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL131737 0.72 MLYCD (0.47) CCR1CCR5CCR8HDAC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 CCR1 2500/4885CCR5 2477/4885CCR8 3833/4885

“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.