SCHEMBL23760701

SCHEMBL23760701

C[C@H]1CCN(c2ccc(C(F)(F)F)c3nccnc23)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
F2RL1 P55085 1/20 0.41
CTSB P07858 1/20 0.40
JAK3 P52333 2/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NCF1 P14598 1/20 0.38
HTR2C P28335 1/20 0.38
PDK2 Q15119 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
CYP8B1 Q9UNU6 2/20 0.36
NOTUM Q6P988 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL21795312 1.00 AR (0.42) ARF2RL1CTSBJAK3HTT
SCHEMBL18991731 0.92 KDM4E (0.49) F2RL1JAK3HTTKDM4EPDE3B
SCHEMBL23760683 0.85 MAP4K4 (0.42) ARNCF1HTR2CPDE10APDE3B
SCHEMBL23760669 0.82 NOTUM (0.39) ARHTTKDM4ENCF1HTR2C
SCHEMBL21795314 0.82 RBP4 (0.36) ARNCF1PDE3BPDE3ACYP8B1
SCHEMBL18980205 0.80 PIM2 (0.42) NOTUMTLR7
SCHEMBL30571035 0.80 PIM2 (0.42) NOTUMTLR7
SCHEMBL30571038 0.80 PIM2 (0.46)
SCHEMBL28662001 0.80 PIM2 (0.46)
Hydrochloric Acid SCHEMBL23855279 0.79 PIM2 (0.42) NOTUMTLR7

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 AR 2128/4885F2RL1 2683/4885CTSB 2318/4885

“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.