SCHEMBL29300678

SCHEMBL29300678

CC(C)(C)COc1cccnc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 8/20 0.40
▸ CHRM4 P08173 5/20 0.39
▸ SSTR4 P31391 2/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36

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
SCHEMBL22021707 0.81 CHRM4 (0.45) OPRL1CHRM4CHRM2
SCHEMBL21216421 0.80 OPRL1 (0.39) OPRL1CHRM4CHRM2TGFBR1
SCHEMBL24350922 0.78 CHRM4 (0.51) CHRM4CHRM2
SCHEMBL365001 0.77 HTR1A (0.39) OPRL1CHRM4SSTR4CHRM2TGFBR1
SCHEMBL26265818 0.74 CHRM4 (0.37) OPRL1CHRM4CHRM2TGFBR1
SCHEMBL13819907 0.73 RIPK1 (0.44) OPRL1RIPK1
SCHEMBL369916 0.73 SSTR4 (0.38) OPRL1SSTR4
SCHEMBL26269233 0.73 MEN1 (0.42) CHRM4CHRM2
SCHEMBL23841511 0.73 CHRM4 (0.40) OPRL1CHRM4CHRM2
SCHEMBL16880332 0.72 CHRM4 (0.47) CHRM4CHRM2

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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 — — 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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS OPRL1 3934/4885CHRM4 4847/4885SSTR4 3594/4885

“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.

Send feedback