SCHEMBL16768484

SCHEMBL16768484

N#CCOC(OCC#N)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TRPA1 O75762 1/20 0.40
PBRM1 Q86U86 1/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTR2A P28223 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CYP1A2 P05177 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33

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
SCHEMBL9414519 0.83 MEN1 (0.51) TSHRTRPA1MEN1KMT2AHTR2A
SCHEMBL27991493 0.79 TSHR (0.47) TSHRTRPA1PBRM1MEN1KMT2A
SCHEMBL16768482 0.79 TSHR (0.38) TSHRTRPA1PBRM1MEN1KMT2A
SCHEMBL6455092 0.78 NPC1 (0.38) TSHRMEN1KMT2AHTR2ATAAR1
SCHEMBL21367527 0.74 PBRM1 (0.36) TSHRTRPA1PBRM1MEN1KMT2A
SCHEMBL5163408 0.70 ACP3 (0.43) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5557026 0.70 TSHR (0.44) TSHRTRPA1PBRM1HTR2ATAAR1
SCHEMBL28474051 0.70 CYP2D6 (0.41) TSHRTRPA1HTR2ATAAR1CYP1A2
SCHEMBL27191 0.70 ACHE (0.47) TSHRHTR2ACYP1A2SMN1; SMN2CYP2D6
SCHEMBL13233282 0.70 HTR2A (0.39) TSHRHTR2ATAAR1CYP1A2SMN1; SMN2

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.