SCHEMBL26324952

SCHEMBL26324952

CC(C)OC(=O)C(C(C)C)N(c1ccc2c(c1)CCO2)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.40
MMP13 P45452 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
USP30 Q70CQ3 1/20 0.36
MAPT P10636 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MMP1 P03956 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
SCHEMBL20564589 0.91 GPR119 (0.41) GPR119MMP13MEN1KMT2AHRH3
SCHEMBL26324929 0.81 GPR119 (0.50) GPR119MEN1KMT2AUSP30MAPT
SCHEMBL20564030 0.71 GPR119 (0.52) GPR119MEN1KMT2AUSP30MAPT
SCHEMBL14637891 0.71 GPR119 (0.48) GPR119MEN1KMT2AUSP30
SCHEMBL25439897 0.70 ALDH1A1 (0.59) GPR119HRH3MAPT
SCHEMBL8345392 0.69 GPR119 (0.52) GPR119
SCHEMBL31023634 0.68 HDAC3 (0.44) GPR119HRH3MAPT
SCHEMBL4683070 0.68 CYP2D6 (0.67) GPR119
SCHEMBL4683076 0.68 CYP2D6 (0.67) GPR119
SCHEMBL25723347 0.67 TGM2 (0.53)

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 GPR119 4808/4885MMP13 4698/4885MEN1 296/4885

“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.