SCHEMBL23923817

SCHEMBL23923817

COc1ccc([C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.58
SIGMAR1 Q99720 3/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
S1PR5 Q9H228 1/20 0.50
ALDH1A1 P00352 1/20 0.50
FAAH O00519 3/20 0.49
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
ACHE P22303 2/20 0.49
HTT P42858 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
HRH2 P25021 1/20 0.47

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
SCHEMBL13362731 1.00 RORC (0.58) RORCSIGMAR1MEN1KMT2AS1PR5
SCHEMBL23951589 0.90 RORC (0.56) RORCSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL28932944 0.90 RORC (0.56) RORCSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL852326 0.88 DRD2 (0.54) RORCSIGMAR1KMT2AS1PR5ALDH1A1
SCHEMBL1752417 0.88 RORC (0.64) RORCSIGMAR1S1PR5
SCHEMBL12303485 0.88 RORC (0.64) RORCSIGMAR1S1PR5
SCHEMBL8484105 0.88 RORC (0.64) RORCSIGMAR1S1PR5
SCHEMBL419234 0.88 RORC (0.64) RORCSIGMAR1S1PR5
SCHEMBL1751711 0.88 RORC (0.64) RORCSIGMAR1S1PR5
SCHEMBL1752470 0.88 RORC (0.64) RORCSIGMAR1S1PR5

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 RORC 46/4885SIGMAR1 2344/4885MEN1 4081/4885
US-20210323942-A1 HETEROCYCLIC COMPOUNDS FOR MODULATING NR2F6 NR2E3, NR2F2, NR2C2 RORC 46/4885SIGMAR1 2344/4885MEN1 4081/4885

“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.