SCHEMBL26327722

SCHEMBL26327722

CCCCN(CCc1ccccc1)C(C(=O)OCCC)C(=O)OCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
CTSK P43235 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PPARG P37231 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL2478291 0.86 ALOX5 (0.43) CTSKTHRATHRBPTGESALOX5
SCHEMBL20564572 0.85 TSHR (0.43) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL26327659 0.82 ALDH1A1 (0.39) DRD3LMNAALDH1A1CYP3A4TSHR
SCHEMBL26327718 0.82 SIGMAR1 (0.46) LMNAALDH1A1TDP1
SCHEMBL26326790 0.80 LMNA (0.49) LMNAALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL26327731 0.80 LMNA (0.43) LMNAALDH1A1TDP1ALOX5SCN1A
SCHEMBL26327664 0.76 LMNA (0.45) LMNAALDH1A1CYP3A4TSHRMAPK1
SCHEMBL26324924 0.75 TSHR (0.41) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL31147040 0.73 TDP1 (0.54) CTSKLMNAALDH1A1MAPK1TDP1
SCHEMBL16732283 0.72 LMNA (0.50) CTSKLMNAALDH1A1TSHRMAPK1

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 DRD2 346/4885OPRM1 974/4885DRD3 640/4885

“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.