SCHEMBL20183073

SCHEMBL20183073

NNC(=O)CN1CCCCCC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
CECR2 Q9BXF3 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL2823420 0.93 TSHR (0.65) TSHRHTTALDH1A1GAAKMT2A
SCHEMBL9821183 0.81 TSHR (0.58) TSHRHTTALDH1A1KMT2ALMNA
SCHEMBL27888999 0.81 HTT (0.54) TSHRHTTKMT2ALMNAATAD2
SCHEMBL1532937 0.80 TSHR (0.85) TSHRHTTALDH1A1GAAKMT2A
SCHEMBL2757961 0.79 HTT (0.49) TSHRHTTALDH1A1GAAKMT2A
SCHEMBL24263535 0.78 TSHR (0.89) TSHRHTTALDH1A1KMT2ALMNA
SCHEMBL596327 0.78 TSHR (0.58) TSHRHTTALDH1A1GAAKMT2A
Dupracetam SCHEMBL1814646 0.78 TSHR (0.63) TSHRHTTALDH1A1GAAKMT2A
SCHEMBL11036951 0.78 TSHR (0.58) TSHRHTTALDH1A1GAAKMT2A
SCHEMBL10642187 0.78 HTT (0.51) TSHRHTTALDH1A1KMT2ALMNA

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
EP-3541802-B1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-01 EP disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
WO-2018093576-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 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 (2 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-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR TSHR 234/4885HTT 4496/4885ALDH1A1 2364/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR TSHR 234/4885HTT 4496/4885ALDH1A1 2364/4885

“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.