SCHEMBL25769738

SCHEMBL25769738

CC(C)CNC1CCC(C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPM8 Q7Z2W7 3/20 0.39
TRPA1 O75762 2/20 0.39
EPHX1 P07099 4/20 0.33
HTT P42858 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.30
RECQL P46063 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
SCHEMBL24820623 0.87 HTT (0.39) TSHRL3MBTL1TRPM8TRPA1EPHX1
SCHEMBL24818708 0.87 HTT (0.39) TSHRL3MBTL1TRPM8TRPA1EPHX1
SCHEMBL12385842 0.86 KDM4E (0.38) TSHRL3MBTL1EPHX1HTTSMYD3
SCHEMBL21501967 0.83 HTT (0.32) EPHX1HTTKDM4E
SCHEMBL4919308 0.80
SCHEMBL23971489 0.78 HTT (0.32) EPHX1HTTSMYD3
Hydrochloric Acid SCHEMBL2656164 0.78
SCHEMBL18813878 0.76
SCHEMBL18687346 0.76
SCHEMBL24946101 0.76 HTT (0.36) EPHX1HTTSMYD3KDM4E

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-20230212155-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2023-07-06 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-20230212155-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 TSHR 2425/4885L3MBTL1 2141/4885TRPM8 4661/4885

“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.