SCHEMBL23628837

SCHEMBL23628837

N#Cc1ccc(N2CC(CN3CCC4(CCNCC4)C3)C3(CC3)C2)c2nccnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.36
CYP2D6 P10635 6/20 0.36
TSHR P16473 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR9 Q9NR96 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
TLR8 Q9NR97 2/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
RET P07949 2/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
ALDH1A1 P00352 6/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP1A2 P05177 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP2C9 P11712 3/20 0.33
HPGD P15428 2/20 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
SCHEMBL23628807 0.96 USP2 (0.38) USP2CYP2D6TSHRSMN1; SMN2TLR9
SCHEMBL23628874 0.91 TLR9 (0.37) TLR9TLR7TLR8KCNH2ROCK2
SCHEMBL23628736 0.89 CYP3A4 (0.45) USP2CYP2D6TSHRSMN1; SMN2TLR9
SCHEMBL23628801 0.88 CYP3A4 (0.43) USP2CYP2D6TSHRTLR9TLR7
SCHEMBL23628839 0.87 TLR9 (0.33) TLR9TLR7TLR8KCNH2
SCHEMBL23760676 0.87 TLR8 (0.36) CYP2D6TLR9TLR7TLR8CYP3A4
SCHEMBL23628788 0.86 TLR9 (0.43) USP2CYP2D6TSHRSMN1; SMN2TLR9
SCHEMBL23628770 0.84 CYP3A4 (0.38) CYP2D6TSHRTLR9TLR7TLR8
SCHEMBL23628781 0.84 TLR8 (0.43) CYP2D6TSHRTLR9TLR7TLR8
SCHEMBL23628757 0.84 TLR8 (0.35) TLR9TLR7TLR8KCNH2

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 5 patents. 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 claimed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP claimed
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US disclosed
US-20210253575-A1 PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-08-19 US disclosed
EP-3847165-A1 NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-07-14 EP 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 4513/4885CYP2D6 2859/4885TSHR 119/4885

“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.