SCHEMBL31578902

SCHEMBL31578902

CC(C)(C)OC(=O)N1CCN(CCn2c(C#N)cc3cc(C=O)ccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ ACKR3 P25106 3/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ SUV39H2 Q9H5I1 2/20 0.38
▸ SQOR Q9Y6N5 1/20 0.38
▸ CETP P11597 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16156345 0.81 PLK1 (0.42) PLK1KCNH2GPR119ACKR3CHRM2
SCHEMBL31027428 0.78 SCN7A (0.39) KCNH2KDM4EMEN1ALDH1A1MAPT
SCHEMBL31027433 0.78 SCN7A (0.39) KCNH2KDM4EMEN1ALDH1A1MAPT
SCHEMBL17522631 0.77 PLK1 (0.43) PLK1KCNH2CHRM2CHRM4CHRM1
SCHEMBL31579034 0.76 CNR2 (0.44) PLK1KCNH2GPR119ACKR3CHRM2
SCHEMBL4160748 0.76 ACKR3 (0.42) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL17596606 0.70 GPR119 (0.37) PLK1GPR119CNR2EGLN2MEN1
SCHEMBL31270774 0.70 RXFP1 (0.45) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL1673377 0.70 GPR4 (0.53) GPR119GPR4
SCHEMBL29480889 0.69 DTYMK (0.43) KCNH2GPR119CHRM2CHRM4CHRM1

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-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. 2025-05-22 — — 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-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, BMI1 PLK1 244/4885KCNH2 4056/4885GPR119 2874/4885

“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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