SCHEMBL26324997

SCHEMBL26324997

CC(C)OC(=O)C(C(C)C)N(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
FFAR2 O15552 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL25440185 0.83 MEN1 (0.46) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL25439842 0.76 USP2 (0.49) MEN1KMT2ATDP1CYP3A4SMN1; SMN2
SCHEMBL20565053 0.75 MEN1 (0.39) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL11594986 0.74 MEN1 (0.50) MEN1KMT2AFFAR2TDP1CYP3A4
SCHEMBL14422345 0.71 MEN1 (0.47) MEN1KMT2AFFAR2TDP1CYP3A4
SCHEMBL20564580 0.68 CHRNB2 (0.39) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL5822049 0.68 MEN1 (0.38) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL21991450 0.68 CYP1A2 (0.53) MEN1KMT2ATDP1CYP3A4SMN1; SMN2
SCHEMBL21103699 0.68 CYP1A2 (0.53) MEN1KMT2ATDP1CYP3A4SMN1; SMN2
SCHEMBL25439936 0.68 ALOX5 (0.42) TDP1NPSR1LMNATSHRACHE

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 MEN1 296/4885KMT2A 127/4885CHRNB2 1465/4885

“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.