SCHEMBL23760671

SCHEMBL23760671

C[C@@H]1CN(c2ccc(C(F)(F)F)c3nccnc23)CC1CNC1CCCNCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.34
MAPK1 P28482 1/20 0.33
TLR7 Q9NYK1 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
WDR5 P61964 6/20 0.31
AURKB Q96GD4 1/20 0.31
MAP3K12 Q12852 3/20 0.30
PRKD1 Q15139 1/20 0.30
PRKD2 Q9BZL6 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL23760693 0.80 TLR9 (0.51) TLR7TLR9TLR8
SCHEMBL23760669 0.75 NOTUM (0.39) NCF1TLR7TLR9TLR8
SCHEMBL23628752 0.73 TLR9 (0.41) MAPK1TLR7TLR9TLR8
SCHEMBL23760700 0.73 CYP2D6 (0.38) NCF1MAPK1
SCHEMBL23628763 0.73 CYP2D6 (0.38) NCF1MAPK1
SCHEMBL23628766 0.73 CYP2D6 (0.38) NCF1MAPK1
SCHEMBL23628767 0.73 CYP2D6 (0.38) NCF1MAPK1
SCHEMBL23628743 0.70 HRH3 (0.38)
SCHEMBL23628747 0.70 HRH3 (0.38)
SCHEMBL20670317 0.69 PIM2 (0.36) NCF1TLR7TLR9TLR8

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-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 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-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, PRMT1, PADI1 NCF1 710/4885MAPK1 1644/4885TLR7 229/4885

“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.