SCHEMBL21161985

SCHEMBL21161985

CC(C)CC[C@H]1CCC(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
SRD5A1 P18405 3/20 0.33
SRD5A2 P31213 3/20 0.33
GAA P10253 1/20 0.32
IRAK4 Q9NWZ3 6/20 0.32
KCNA5 P22460 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDCD1LG2 Q9BQ51 3/20 0.31
CD274 Q9NZQ7 3/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL18289455 0.81 KCNA5 (0.36) CTSDKCNA5PDCD1LG2CD274
SCHEMBL12604536 0.80 CTSD (0.37) CTSDGAAIRAK4KCNA5TDP1
SCHEMBL6962558 0.80 CTSD (0.37) CTSDGAAIRAK4KCNA5TDP1
SCHEMBL8271490 0.80 CTSD (0.37) CTSDGAAIRAK4KCNA5TDP1
SCHEMBL13484370 0.78
SCHEMBL2731412 0.78
SCHEMBL13484265 0.78
SCHEMBL6957136 0.78 CD274 (0.39) PDCD1LG2CD274
SCHEMBL24127744 0.77 CTSD (0.36) CTSDIRAK4PDCD1LG2CD274
SCHEMBL22259093 0.77 IRAK4 (0.34) CTSDIRAK4PDCD1LG2CD274KCNH2

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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 CTSD 4078/4885OPRM1 708/4885OPRL1 1615/4885

“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.