SCHEMBL26327619

SCHEMBL26327619

CCCOC(=O)C(C(=O)OCCC)N(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 5/20 0.47
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA4 P43681 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.40
CHRM1 P11229 3/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 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
SCHEMBL11171940 0.86 PIN1 (0.49) LMNAALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL26325985 0.85 LMNA (0.51) LMNAALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL4081281 0.84 TSHR (0.47) LMNAALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL26327664 0.78 LMNA (0.45) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL26327797 0.78 LMNA (0.45) LMNAALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL26327819 0.78 LMNA (0.45) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL26327800 0.78 LMNA (0.45) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL26327651 0.77 LMNA (0.44) LMNAALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL26327977 0.76 LMNA (0.46) LMNAALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL25439821 0.76 TSHR (0.43) LMNAALDH1A1CHRNB2CHRNB4CHRNA3

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 LMNA 167/4885ALDH1A1 1805/4885CHRNB2 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.