SCHEMBL25600531

SCHEMBL25600531

CC(C)C(=O)N1CCC(N2CCC(N3CC4(CC(C(C)C)C4)C3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.36
▸ OPRM1 P35372 3/20 0.35
▸ OPRL1 P41146 3/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ L3MBTL3 Q96JM7 6/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ MBTD1 Q05BQ5 2/20 0.34
▸ TP53BP1 Q12888 1/20 0.34
▸ L3MBTL4 Q8NA19 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL25600532 0.94 CYP3A4 (0.35) CHRM1CHRM2CYP3A4CYP2C19HRH3
SCHEMBL25600527 0.92 OPRL1 (0.38) CHRM1CHRM2CYP3A4CYP2C19HRH3
SCHEMBL25600528 0.92 HRH3 (0.37) CHRM1CHRM2CYP3A4CYP2C19HRH3
SCHEMBL25600565 0.89 HRH3 (0.34) CHRM1HRH3OPRM1OPRL1OPRK1
SCHEMBL25605729 0.87 HRH3 (0.36) HRH3OPRM1OPRL1OPRK1L3MBTL3
SCHEMBL25605744 0.85 ALDH1A1 (0.45) CHRM1CHRM2CYP3A4CYP2C19HRH3
SCHEMBL24838380 0.84 CHRM1 (0.43) CHRM1CHRM2CYP3A4CYP2C19OPRM1
SCHEMBL25605709 0.84 CHRM1 (0.43) CHRM1CHRM2CYP3A4CYP2C19OPRM1
SCHEMBL25600327 0.83 OPRL1 (0.36) CHRM1CHRM2HRH3OPRM1OPRL1
SCHEMBL25600526 0.83 OPRL1 (0.34) CHRM1HRH3OPRM1OPRL1OPRK1

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-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-08 — — 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-20230173078-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 CHRM1 4634/4885CHRM2 4632/4885CYP3A4 2211/4885

“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.

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