SCHEMBL26327677

SCHEMBL26327677

CCCCN(c1ccc(Cl)cc1)C(C(=O)OCCC)C(=O)OCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
KCNH2 Q12809 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL26327671 0.87 MEN1 (0.38) GAAPOLBKMT2AMEN1CNR2
SCHEMBL26327664 0.86 LMNA (0.45) GAAKMT2AMEN1L3MBTL1TSHR
SCHEMBL20564580 0.85 CHRNB2 (0.39) GAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26327939 0.81 MEN1 (0.44) GAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26327713 0.79 PPARG (0.41) GAAALDH1A1SMN1; SMN2CYP3A4CYP2C19
SCHEMBL6555980 0.78 CNR2 (0.40) GAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6555981 0.78 CNR2 (0.40) GAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26327694 0.76 TAS1R3 (0.40) POLBALDH1A1KDM4EMAPK1RAB9A
SCHEMBL26327702 0.76 ESR1 (0.34) GAAKCNH2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL6555724 0.75 CNR2 (0.40) KMT2ACNR2KCNH2ALDH1A1HPGD

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 GAA 3549/4885CHRNB2 1465/4885CHRNB4 1958/4885

“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.