SCHEMBL16768482

SCHEMBL16768482

N#CCCOC(OCCC#N)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
TRPA1 O75762 1/20 0.38
PBRM1 Q86U86 1/20 0.37
SCN1A P35498 3/20 0.35
SCN2A Q99250 3/20 0.35
SCN3A Q9NY46 3/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
HTR2A P28223 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 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
SCHEMBL21367527 0.93 PBRM1 (0.36) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL17864867 0.84 LMNA (0.33) LMNALTB4RGAA
SCHEMBL16768484 0.79 TSHR (0.40) TSHRTRPA1PBRM1SCN1ASCN2A
SCHEMBL19214438 0.78 ALDH1A1 (0.47) TSHRPBRM1HTTLMNACYP1A2
SCHEMBL19218116 0.77 TYR (0.40) LMNASMN1; SMN2
SCHEMBL4384773 0.74 HTT (0.44) TSHRSCN1ASCN2ASCN3AHTT
SCHEMBL7120235 0.72 ALDH1A1 (0.46) TSHRTRPA1SCN1ASCN2ASCN3A
SCHEMBL16767872 0.72 HRH1 (0.48) TSHRHTR2ACYP1A2CYP2D6SLC6A4
SCHEMBL10458379 0.72 TAAR1 (0.41) TSHRSCN1ASCN2ASCN3AHTT
SCHEMBL19117011 0.71 MMP8 (0.44) LMNACYP1A2CHRM2CHRM4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542224-B2 Synthesis of and compositions containing diaminoacetals and diaminoketals ADITYA BIRLA CHEMICALS (USA), INC. (US) 2023-01-03 US disclosed
US-20200317604-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS CONNORA TECHNOLOGIES, INC. 2020-10-08 US disclosed
US-20190284128-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS ADITYA BIRLA CHEMICALS (USA) LLC 2019-09-19 US disclosed
US-20170114002-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS CONNORA TECHNOLOGIES, INC. (US) 2017-04-27 US disclosed
US-20150152043-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS PASTINE STEFAN J (US) 2015-06-04 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 (5 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-20190284128-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS SRM, AOC1, SAT1 TSHR 4623/4885TRPA1 1988/4885PBRM1 174/4885
US-20150152043-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS SRM, AOC1, SAT1 TSHR 4623/4885TRPA1 1988/4885PBRM1 174/4885
US-20200317604-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS SRM, AOC1, SAT1 TSHR 4623/4885TRPA1 1988/4885PBRM1 174/4885
US-11542224-B2 Synthesis of and compositions containing diaminoacetals and diaminoketals SRM, AOC1, SAT1 TSHR 4623/4885TRPA1 1988/4885PBRM1 174/4885
US-20170114002-A1 SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS SRM, AOC1, SAT1 TSHR 4623/4885TRPA1 1988/4885PBRM1 174/4885

“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.