SCHEMBL26327718

SCHEMBL26327718

CCCOC(=O)C(C(=O)OCCC)N(C)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
LMNA P02545 2/20 0.45
CHRM1 P11229 1/20 0.45
KDM4E B2RXH2 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL26327731 0.83 LMNA (0.43) LMNACHRM1TDP1ALDH1A1CYP1A2
SCHEMBL26327722 0.82 DRD2 (0.43) LMNATDP1ALDH1A1
SCHEMBL25439817 0.81 SIGMAR1 (0.51) SIGMAR1KDM4ETAAR1
SCHEMBL7342963 0.79 SIGMAR1 (0.56) SIGMAR1KDM4ETAAR1TDP1ALDH1A1
SCHEMBL26326790 0.77 LMNA (0.49) LMNACHRM1ALDH1A1CYP1A2CYP2D6
SCHEMBL26327619 0.75 LMNA (0.50) LMNACHRM1ALDH1A1CYP1A2CYP2D6
SCHEMBL16732283 0.75 LMNA (0.50) LMNATDP1ALDH1A1
SCHEMBL2478291 0.74 ALOX5 (0.43)
SCHEMBL9395007 0.74 LMNA (0.49) LMNATDP1ALDH1A1CYP1A2
SCHEMBL26327797 0.73 LMNA (0.45) LMNACHRM1ALDH1A1CYP1A2CYP2D6

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 SIGMAR1 2707/4885LMNA 167/4885CHRM1 1689/4885

“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.