SCHEMBL20915029

SCHEMBL20915029

N[C@H]([CH]c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
F2 P00734 1/20 0.48
HTR2A P28223 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL28772606 1.00 DPP4 (0.48) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL3511627 1.00 DPP4 (0.48) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL20312145 0.76 CYP1A2 (0.52) DPP4F2HTR2ALMNA
SCHEMBL8007285 0.76 HTR2A (0.41) DPP4F2HTR2ALMNA
SCHEMBL7366231 0.74 ALDH1A1 (0.39) DPP4F2HTR2ATAAR1LMNA
SCHEMBL1036921 0.72 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL6963122 0.72 DPP4 (0.50) DPP4F2HTR2ATAAR1ADRA2A
SCHEMBL9804450 0.72 ALDH1A1 (0.43) DPP4F2HTR2ATAAR1LMNA
SCHEMBL6048471 0.72 ALDH1A1 (0.43) DPP4F2HTR2ALMNA
SCHEMBL7572963 0.72 HTR2A (0.48) HTR2ATAAR1ADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978151-B Preparation method of 3-methyl-2-butenol 山东新和成药业有限公司 2022-05-17 CN claimed
CN-111978151-A Preparation method of 3-methyl-2-butenol 山东新和成药业有限公司 2020-11-24 CN claimed
CN-111978151-B Preparation method of 3-methyl-2-butenol 山东新和成药业有限公司 2022-05-17 CN disclosed
CN-111978151-A Preparation method of 3-methyl-2-butenol 山东新和成药业有限公司 2020-11-24 CN disclosed
US-10597366-B2 Aryl ethers and uses thereof PELOTON THERAPEUTICS, INC. (US) 2020-03-24 US disclosed
US-20190119214-A1 ARYL ETHERS AND USES THEREOF PELOTON THERAPEUTICS, INC. 2019-04-25 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 (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-20190119214-A1 ARYL ETHERS AND USES THEREOF HIF1AN, EGLN2, VHL DPP4 3278/4885F2 4436/4885HTR2A 1798/4885
US-10597366-B2 Aryl ethers and uses thereof HIF1AN, EGLN2, VHL DPP4 3278/4885F2 4436/4885HTR2A 1798/4885

“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.