SCHEMBL30632519

SCHEMBL30632519

[2H]c1cc([C@H]2[C@@H](C(=O)OCC)CCCN2C(=O)c2c(F)cccc2C([2H])([2H])[2H])ccc1NC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
CHRM1 P11229 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 2/20 0.32
CASP3 P42574 1/20 0.32
POLB P06746 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
SCHEMBL30632480 0.96 CNR2 (0.39) CNR2KMT2AALDH1A1MEN1MAPK1
SCHEMBL30632538 0.95 CNR2 (0.39) CNR2KMT2AALDH1A1MEN1MAPK1
SCHEMBL29766207 0.91 CNR2 (0.41) CNR2KMT2AALDH1A1MEN1MAPK1
SCHEMBL2583006 0.91 CNR2 (0.41) CNR2KMT2AALDH1A1MEN1MAPK1
SCHEMBL17997997 0.91 CNR2 (0.41) CNR2KMT2AALDH1A1MEN1MAPK1
SCHEMBL18532604 0.91 CNR2 (0.41) CNR2KMT2AALDH1A1MEN1MAPK1
SCHEMBL18532542 0.91 CNR2 (0.41) CNR2KMT2AALDH1A1MEN1MAPK1
SCHEMBL20971895 0.89 PREP (0.34) KMT2AALDH1A1MEN1L3MBTL1HCRTR1
SCHEMBL20971890 0.86 CCR5 (0.35) KMT2AALDH1A1MEN1HCRTR1HCRTR2
SCHEMBL30632486 0.85 CNR2 (0.35) CNR2KMT2AALDH1A1MEN1MAPK1

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-11807609-B2 Deuterated compounds as immunomodulators CHEMOCENTRYX, INC. (US) 2023-11-07 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-11807609-B2 Deuterated compounds as immunomodulators C3AR1, C5AR1, C5AR2 CNR2 64/4885KMT2A 4498/4885ALDH1A1 1838/4885

“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.