SCHEMBL24858155

SCHEMBL24858155

CC(C)(C)c1cccnc1C1COC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.35
OPRL1 P41146 6/20 0.34
P2RY1 P47900 3/20 0.32
TRPV1 Q8NER1 1/20 0.32
RBP4 P02753 2/20 0.32
CA2 P00918 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL16132302 0.84 OPRL1 (0.41) OPRL1P2RY1TRPV1RBP4CA2
SCHEMBL16132340 0.81 OPRL1 (0.40) OPRL1P2RY1TRPV1RBP4CA2
SCHEMBL31438527 0.73 KDM4E (0.34) PDE1APDE1BPDE1C
SCHEMBL25190850 0.73 KDM4E (0.34) PDE1APDE1BPDE1C
SCHEMBL31610808 0.72 CHRNA7 (0.44) OPRL1TRPV1CA2NISCHTSHR
SCHEMBL27270827 0.72 CHRNA7 (0.44) OPRL1TRPV1CA2NISCHTSHR
SCHEMBL25725449 0.71 OPRL1 (0.31) OPRL1
SCHEMBL1116651 0.70 PARP1 (0.46) OPRL1ALDH1A1TDP1
SCHEMBL25864362 0.68
SCHEMBL9768975 0.67 KDM4E (0.37) OPRL1ALDH1A1TSHRTDP1

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-20230002355-A1 COMPOUND AS SHP2 INHIBITOR AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2023-01-05 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-20230002355-A1 COMPOUND AS SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN7 IDH1 449/4885OPRL1 4103/4885P2RY1 731/4885

“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.