SCHEMBL23924024

SCHEMBL23924024

O=C(O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.57
RORC P51449 1/20 0.51
F10 P00742 4/20 0.51
MAOB P27338 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
ALDH1A1 P00352 3/20 0.47
CHRM4 P08173 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ROCK2 O75116 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
FAAH O00519 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
FUCA1 P04066 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL21935979 1.00 CCR5 (0.57) CCR5RORCF10MAOBSIGMAR1
SCHEMBL21622313 1.00 CCR5 (0.57) CCR5RORCF10MAOBSIGMAR1
SCHEMBL28932955 0.87 F10 (0.53) CCR5RORCF10MAOBSIGMAR1
SCHEMBL419234 0.87 RORC (0.64) CCR5RORCF10MAOBSIGMAR1
SCHEMBL1752417 0.87 RORC (0.64) CCR5RORCF10MAOBSIGMAR1
SCHEMBL1751711 0.87 RORC (0.64) CCR5RORCF10MAOBSIGMAR1
SCHEMBL12303485 0.87 RORC (0.64) CCR5RORCF10MAOBSIGMAR1
SCHEMBL8484105 0.87 RORC (0.64) CCR5RORCF10MAOBSIGMAR1
SCHEMBL1752470 0.87 RORC (0.64) CCR5RORCF10MAOBSIGMAR1
SCHEMBL14371541 0.87 RORC (0.64) CCR5RORCF10MAOBSIGMAR1

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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S.R.L. (IT) 2022-07-07 US disclosed
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 TES PHARMA S R L (IT) 2021-10-21 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 (2 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-20220213061-A9 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 CCR5 4065/4885RORC 46/4885F10 4490/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 CCR5 4065/4885RORC 46/4885F10 4490/4885

“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.