SCHEMBL25826544

SCHEMBL25826544

Cc1ccc(C2OCCO2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
NSD2 O96028 1/20 0.38
CASP6 P55212 1/20 0.38
METAP2 P50579 1/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 1/20 0.35
PDE10A Q9Y233 8/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
MAPK1 P28482 1/20 0.34
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PLAU P00749 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
SCHEMBL1633953 0.78 MEN1 (0.35) NSD2CASP6OPRM1OPRL1
SCHEMBL8683965 0.78 NSD2 (0.37) NSD2CASP6ADRA2AADRA2BADRA2C
SCHEMBL1931192 0.78 KDM4E (0.34) NSD2CASP6OPRM1OPRL1ADRA2A
SCHEMBL20198840 0.77 CCR1 (0.50) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL6919321 0.75 MAPK1 (0.46) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL827646 0.74 CCR1 (0.52) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL1931861 0.73 ENPP2 (0.31)
SCHEMBL15783786 0.73 KDM1A (0.35)
SCHEMBL25678500 0.73 CCR1 (0.42) CCR1CCR5CCR8HDAC6NOS3
SCHEMBL30983264 0.72 IRAK4 (0.35) NSD2CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CCR1 4312/4885CCR5 4140/4885CCR8 4372/4885

“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.