SCHEMBL23760694

SCHEMBL23760694

N#Cc1ccc(N2CC(F)[C@@H](CN3CCC4(CCNCC4)CC3)C2)c2nccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.38
TLR8 Q9NR97 5/20 0.37
TLR9 Q9NR96 5/20 0.37
TLR7 Q9NYK1 5/20 0.37
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.33
CDC7 O00311 1/20 0.33
PIM1 P11309 1/20 0.33
CDK9 P50750 1/20 0.33
TSHR P16473 5/20 0.33
CYP2D6 P10635 5/20 0.33
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2C9 P11712 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL23760670 0.95 CYP2D6 (0.37) USP2TLR8TLR9TLR7HPGD
SCHEMBL23760699 0.89 TLR8 (0.46) USP2TLR8TLR9TLR7HPGD
SCHEMBL23628817 0.89 TLR8 (0.37) USP2TLR8TLR9TLR7HPGD
SCHEMBL23628806 0.89 TLR9 (0.45) USP2TLR8TLR9TLR7HPGD
SCHEMBL23760686 0.84 TLR8 (0.45) USP2TLR8TLR9TLR7HPGD
SCHEMBL23628810 0.84 TLR8 (0.38) USP2TLR8TLR9TLR7CYP3A4
SCHEMBL23760718 0.84 TLR8 (0.38) USP2TLR8TLR9TLR7CYP3A4
SCHEMBL23760720 0.84 TLR8 (0.42) TLR8TLR9TLR7RET
SCHEMBL23628842 0.83 USP2 (0.39) USP2TLR8TLR9TLR7HPGD
SCHEMBL23760737 0.82 TLR8 (0.42) TLR8TLR9TLR7

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 USP2 4513/4885TLR8 1800/4885TLR9 308/4885

“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.