SCHEMBL12050481

SCHEMBL12050481

Cc1ccc(C(F)C=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
RAB9A P51151 3/20 0.35
MAPT P10636 1/20 0.35
S1PR3 Q99500 8/20 0.33
CYP2A6 P11509 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
PTGS2 P35354 1/20 0.31
NPC1 O15118 2/20 0.31

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
SCHEMBL27668675 0.78 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL155539 0.77 CCR1 (0.48) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL26126120 0.77 CCR1 (0.40) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL21495093 0.77 CCR1 (0.40) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL4746938 0.77 CCR1 (0.40) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL18405360 0.75 CCR1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL15654583 0.71 CCR1 (0.41) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL15626636 0.70 CCR1 (0.38) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL101583 0.70 CCR1 (0.50) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL28262171 0.69 CCR1 (0.36) 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-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 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-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 CCR1 1840/4885CCR5 1549/4885CCR8 3154/4885

“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.