SCHEMBL22472938

SCHEMBL22472938

COC(=O)N1C(C)CC(N2CCC(N(CC(C)C)C(C)=O)CC2)CC1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
HCRTR2 O43614 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.33
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 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
SCHEMBL22472931 0.89 PIK3CD (0.45) PIK3CDMEN1KMT2ALMNAUBE2M
SCHEMBL22449312 0.85 PIK3CD (0.49) PIK3CDMEN1KMT2ALMNA
SCHEMBL22472891 0.85 HCRTR2 (0.31) HCRTR2
SCHEMBL22472946 0.83 HCRTR2 (0.30) HCRTR2
SCHEMBL22472898 0.81 CHRM1 (0.31)
SCHEMBL22472874 0.80 CCR5 (0.44) MEN1KMT2AUBE2MDCUN1D1
SCHEMBL21597935 0.75 PIK3CD (0.48) PIK3CDLMNAUBE2MDCUN1D1
SCHEMBL22472871 0.74 CHRM1 (0.35) TP53
SCHEMBL27176070 0.74 PIK3CD (0.52) PIK3CDMEN1KMT2A
SCHEMBL22472879 0.73 EPHX2 (0.39) HCRTR2KMT2ALMNACYP3A4

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-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 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-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 PIK3CD 2063/4885HCRTR2 194/4885MEN1 279/4885

“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.