SCHEMBL6928728

SCHEMBL6928728

Cc1ccccc1COCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
CHRM3 P20309 1/20 0.41
MAOB P27338 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP2A13 Q16696 1/20 0.37
MPO P05164 1/20 0.36
TACR1 P25103 1/20 0.36
IDO1 P14902 1/20 0.35
CHRM2 P08172 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
SCHEMBL6237597 0.83 CHRM2 (0.47) TAAR1CHRM3ADRA2AADRA2BADRA2C
SCHEMBL4315585 0.83 TAAR1 (0.50) TAAR1CHRM3MAOBHPGDADRA2A
SCHEMBL8596525 0.82 TAAR1 (0.64) TAAR1HPGDSMN1; SMN2KDM4E
SCHEMBL10593611 0.82 TAAR1 (0.42) TAAR1CHRM3MAOBADRA2AADRA2B
Hydrochloric Acid SCHEMBL8097795 0.81 TAAR1 (0.62) TAAR1HPGDSMN1; SMN2KDM4E
SCHEMBL2495001 0.80 TAAR1 (0.40) TAAR1MAOBHPGDSMN1; SMN2
SCHEMBL2337879 0.80 CHRM3 (0.47) TAAR1CHRM3MAOBHPGDADRA2A
SCHEMBL10792626 0.78 TSHR (0.44) TAAR1CHRM3MAOBHPGDADRA2A
SCHEMBL21518167 0.78 TAAR1 (0.38) TAAR1KDM4E
SCHEMBL19675835 0.78 TAAR1 (0.39) TAAR1HPGDSMN1; SMN2KDM4EIDO1

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 7 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
CN-109863160-A Nucleoside phosphorylase class compound and its preparation method and application 四川科伦博泰生物医药股份有限公司 2019-06-07 CN disclosed
US-6518450-B2 Adrenergic blocking agent NATIONAL SCIENCE COUNCIL (TW) 2003-02-11 US disclosed
US-20010056211-A1 Guaiacoxypropanolamines with alpha/beta adrenergic blocking activity NATIONAL SCIENCE COUNCIL (TW) 2001-12-27 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 (3 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 4584/4885CHRM3 4866/4885MAOB 1491/4885
US-10899786-B2 Nucleoside phosphate compound and preparation method and use thereof PNP, NTPCR, TYMP TAAR1 4584/4885CHRM3 4866/4885MAOB 1491/4885
US-20010056211-A1 Guaiacoxypropanolamines with alpha/beta adrenergic blocking activity ADRB1, ADRA1A, ADRA1B TAAR1 204/4885CHRM3 140/4885MAOB 227/4885

“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.