SCHEMBL14944992

SCHEMBL14944992

CNCCCN1C(=O)C=CC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.62
FAAH O00519 5/20 0.62
NPSR1 Q6W5P4 3/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
MAPK1 P28482 2/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSP90AA1 P07900 1/20 0.60
TLR9 Q9NR96 1/20 0.60
TP53 P04637 1/20 0.60
PKM P14618 1/20 0.60
HPGD P15428 1/20 0.60
XBP1 P17861 1/20 0.60
RECQL P46063 1/20 0.60
RAB9A P51151 1/20 0.60
GPR35 Q9HC97 1/20 0.60
GPR55 Q9Y2T6 1/20 0.60
PTGS1 P23219 7/20 0.55

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
SCHEMBL17192626 0.92 MGLL (0.68) MGLLFAAHNPSR1ALDH1A1LMNA
SCHEMBL23181692 0.92 MGLL (0.68) MGLLFAAHNPSR1ALDH1A1LMNA
SCHEMBL12599169 0.86 MGLL (0.54) MGLLFAAHNPSR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28493448 0.84 MGLL (0.52) MGLLFAAHNPSR1ALDH1A1LMNA
SCHEMBL5146869 0.82 MGLL (0.68) MGLLFAAHNPSR1ALDH1A1LMNA
SCHEMBL1972894 0.79 MGLL (0.46) MGLLFAAHNPSR1ALDH1A1LMNA
SCHEMBL9999884 0.79 PTGS1 (0.47) MGLLFAAHNPSR1ALDH1A1LMNA
SCHEMBL1324812 0.78 MGLL (0.62) MGLLFAAHNPSR1ALDH1A1LMNA
Dimethylamine SCHEMBL181458 0.78 MGLL (0.73) MGLLFAAHNPSR1ALDH1A1LMNA
SCHEMBL155748 0.78 MGLL (1.00) MGLLFAAHNPSR1ALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210108201-A1 FN3 Domain-siRNA Conjugates and Uses Thereof Aro Biotherapeutics Company 2021-04-15 US disclosed
WO-2021048469-A1 POLYMER AND COMPOSITION FROM RENEWABLE SOURCE ÅBO AKADEMI UNIVERSITY (FI) 2021-03-18 WO disclosed
US-20150284416-A1 NOVEL LINKERS FOR CONJUGATION OF CELL-BINDING MOLECULES SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2015-10-08 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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 (3 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP MGLL 3415/4885FAAH 3699/4885NPSR1 3021/4885
US-20150284416-A1 NOVEL LINKERS FOR CONJUGATION OF CELL-BINDING MOLECULES EPCAM, CD2BP2, CD44 MGLL 4220/4885FAAH 2729/4885NPSR1 1305/4885
US-20210108201-A1 FN3 Domain-siRNA Conjugates and Uses Thereof FN1, ITGB3, FNIP1 MGLL 4522/4885FAAH 4348/4885NPSR1 1605/4885

“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.