SCHEMBL21620925

SCHEMBL21620925

Cc1c(Br)cccc1OCCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.43
▸ HTR1B P28222 1/20 0.42
▸ MAPT P10636 10/20 0.40
▸ L3MBTL1 Q9Y468 8/20 0.40
▸ HPGD P15428 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ LMNA P02545 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 5/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL18728445 0.93 HTR7 (0.43) HTR7HTR1BMAPTL3MBTL1HPGD
SCHEMBL29772127 0.93 HTR7 (0.43) HTR7HTR1BMAPTL3MBTL1HPGD
SCHEMBL26636905 0.83 HTR7 (0.44) HTR7HTR1BMAPTL3MBTL1HPGD
SCHEMBL15286819 0.81 MAPT (0.44) HTR7HTR1BMAPTL3MBTL1HPGD
SCHEMBL29648252 0.81 HTR7 (0.43) HTR7HTR1BMAPTL3MBTL1HPGD
SCHEMBL28751083 0.81 CYP1A2 (0.50) HTR7HTR1BMAPTL3MBTL1HPGD
SCHEMBL13555092 0.81 HTR7 (0.43) HTR7HTR1BMAPTL3MBTL1HPGD
SCHEMBL18728167 0.81 HTR7 (0.43) HTR7HTR1BMAPTL3MBTL1HPGD
SCHEMBL1929353 0.80 HTR7 (0.58) HTR7MAPTL3MBTL1HPGDRAB9A
SCHEMBL30504433 0.80 HTR1B (0.50) HTR7HTR1BMAPTL3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384500-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-14 — — CN disclosed
CN-112424194-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-02-06 — — CN disclosed
US-20220119411-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-04-21 — — US disclosed
US-20220119411-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2022-04-21 — — US disclosed
US-20210300909-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-09-30 — — US disclosed
CN-112424194-A Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2021-02-26 — — CN disclosed
CN-112384500-A Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2021-02-19 — — CN disclosed
WO-2020011243-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-01-16 — — WO 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-20220119411-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP HTR7 4158/4885HTR1B 3704/4885MAPT 4396/4885
US-20210300909-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP HTR7 4158/4885HTR1B 3704/4885MAPT 4396/4885

“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.

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