SCHEMBL23760669

SCHEMBL23760669

CC1CN(c2ccc(C(F)(F)F)c3nccnc23)C[C@H]1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.39
NCF1 P14598 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
RBP4 P02753 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
HTR2C P28335 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
AR P10275 1/20 0.33
SCD O00767 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
SCHEMBL20670317 0.90 PIM2 (0.36) NOTUMNCF1TLR9TLR8TLR7
SCHEMBL21795312 0.82 AR (0.42) NOTUMNCF1TLR7KDM4EHTT
SCHEMBL23760701 0.82 AR (0.42) NOTUMNCF1TLR7KDM4EHTT
SCHEMBL30571035 0.82 PIM2 (0.42) NOTUMTLR8TLR7
SCHEMBL18980205 0.82 PIM2 (0.42) NOTUMTLR8TLR7
Hydrochloric Acid SCHEMBL23855279 0.81 PIM2 (0.42) NOTUMTLR8TLR7
SCHEMBL18991731 0.80 KDM4E (0.49) NOTUMTLR7KDM4EHTTPDE3B
SCHEMBL30317614 0.79 TLR7 (0.38) NOTUMNCF1TLR9TLR8TLR7
SCHEMBL23760683 0.79 MAP4K4 (0.42) NOTUMNCF1TLR8HTR2CPDE3B
SCHEMBL21645233 0.78 TLR8 (0.55) NOTUMTLR8

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 NOTUM 3125/4885NCF1 710/4885TLR9 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.