SCHEMBL21518166

SCHEMBL21518166

Cc1ccccc1COC(N)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
SCN4A P35499 5/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
NFKB1 P19838 2/20 0.40
THPO P40225 1/20 0.40
MAOB P27338 3/20 0.38
LMNA P02545 2/20 0.38
MAOA P21397 2/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KCNK3 O14649 1/20 0.38
CACNA1F O60840 1/20 0.38
KCNK2 O95069 1/20 0.38
GBA1 P04062 1/20 0.38
HTR2A P28223 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
SCHEMBL12936636 0.80 TAAR1 (0.43) TAAR1MAOBTSHRADRA2AADRA2B
SCHEMBL24735105 0.79 TAAR1 (0.40) TAAR1SCN4ACYP1A2CYP3A4CYP2D6
SCHEMBL28382748 0.78 TAAR1 (0.42) TAAR1SCN4ACYP1A2CYP3A4CYP2D6
SCHEMBL10851642 0.77 MAOB (0.44) TAAR1CYP1A2MAOBLMNATSHR
SCHEMBL854787 0.74 TAAR1 (0.38) TAAR1MAOBADRA2AADRA2BADRA2C
SCHEMBL20324293 0.74 SCN4A (0.50) TAAR1SCN4ACYP1A2CYP3A4CYP2D6
SCHEMBL4846046 0.74 MAOB (0.45) TAAR1MAOBLMNATSHRADRA2A
Hydrochloric Acid SCHEMBL21518168 0.73 LMNA (0.51) TAAR1SCN4ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL21518135 0.73 LMNA (0.51) TAAR1SCN4ACYP1A2CYP3A4CYP2D6
SCHEMBL13884107 0.73 MAOB (0.37) TAAR1MAOBADRA2AADRA2BADRA2C

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
CN-109863160-B Nucleoside phosphate compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-06-07 CN disclosed
US-10899786-B2 Nucleoside phosphate compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-01-26 US disclosed
US-20200308214-A1 NUCLEOSIDE PHOSPHATE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-10-01 US disclosed
EP-3560943-A1 NUCLEOSIDE PHOSPHATE COMPOUND AND PREPARATION METHOD AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2019-10-30 EP 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-20200308214-A1 NUCLEOSIDE PHOSPHATE COMPOUND AND PREPARATION METHOD AND USE THEREOF PNP, NTPCR, TYMP TAAR1 4584/4885SCN4A 1831/4885CYP1A2 1293/4885
US-10899786-B2 Nucleoside phosphate compound and preparation method and use thereof PNP, NTPCR, TYMP TAAR1 4584/4885SCN4A 1831/4885CYP1A2 1293/4885

“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.