SCHEMBL20565111

SCHEMBL20565111

C=Cc1ccccc1N(CCCC)C(C(=O)OC(C)C)C(=O)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
HIF1A Q16665 1/20 0.33
TP53 P04637 5/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
TSHR P16473 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL26324903 0.88 NPSR1 (0.33) NPSR1POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL26327688 0.87 ALDH1A1 (0.36) NPSR1POLBSMN1; SMN2ALDH1A1TP53
SCHEMBL25440085 0.83 ALDH1A1 (0.43) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL17313474 0.78 KCNH2 (0.32) NPSR1MEN1KMT2A
SCHEMBL25440228 0.78 ESR1 (0.41) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL25440275 0.72 NPC1 (0.40) SMN1; SMN2NPC1RAB9ALMNAPPARG
SCHEMBL25439783 0.72 RAB9A (0.35) POLBALDH1A1MEN1KMT2ATP53
SCHEMBL20564580 0.71 CHRNB2 (0.39) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL26324888 0.71 ALDH1A1 (0.41) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL4267196 0.70 MEN1 (0.37) NPSR1SMN1; SMN2MAPTALDH1A1MEN1

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 3 patents. 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
WO-2018213572-A9 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-13 WO disclosed
WO-2018213572-A1 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-22 WO 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 NPSR1 1093/4885POLB 776/4885SMN1; SMN2 212/4885

“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.