SCHEMBL22434760

SCHEMBL22434760

CC(C)NCc1cc(CNC(C)C)cc(CNC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
SIGMAR1 Q99720 1/20 0.38
PARP1 P09874 4/20 0.36
EGLN2 Q96KS0 1/20 0.36
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
CCR5 P51681 1/20 0.35
LTA4H P09960 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAP4K4 O95819 1/20 0.35
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
CA2 P00918 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
SCHEMBL23008642 0.90 SLC2A1 (0.38) SLC2A1SIGMAR1PARP1EGLN2HRH1
SCHEMBL12312589 0.85 ALDH1A1 (0.40) SLC2A1SIGMAR1PARP1HIF1AALDH1A1
SCHEMBL11794365 0.85 SLC2A1 (0.57) SLC2A1SIGMAR1PARP1CCR5MAP4K4
SCHEMBL13996917 0.83 IDO1 (0.41) SLC2A1TSHRKCNH2
SCHEMBL12312577 0.83 MAP4K4 (0.46) SLC2A1SIGMAR1ADRB2KCNH2MAP4K4
SCHEMBL12778461 0.83 TSHR (0.34) SLC2A1SIGMAR1PARP1EGLN2TSHR
SCHEMBL3271284 0.82 SIGMAR1 (0.48) SLC2A1SIGMAR1PARP1HRH1LTA4H
SCHEMBL14438272 0.81 ADRB2 (0.37) SLC2A1SIGMAR1PARP1EGLN2ADRB2
SCHEMBL9242357 0.79 CA1 (0.41) TSHRHIF1AADRB2ADRA1ACA2
SCHEMBL21346322 0.79 TSHR (0.53) TSHRALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF Bicyclerd Limited (GB) 2021-03-18 US disclosed
US-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-17 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 (3 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-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF STING1, BID, VIP SLC2A1 4860/4885SIGMAR1 2121/4885PARP1 417/4885
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR SLC2A1 4711/4885SIGMAR1 1983/4885PARP1 3162/4885
US-20210079045-A1 BICYCLIC PEPTIDE LIGANDS WITH DETECTABLE MOIETIES AND USES THEREOF VIP, NGLY1, GRPR SLC2A1 4711/4885SIGMAR1 1983/4885PARP1 3162/4885

“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.