SCHEMBL18757446

SCHEMBL18757446

Cc1c(Br)cccc1OCCCN

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ MAPT P10636 8/20 0.42
▸ L3MBTL1 Q9Y468 7/20 0.42
▸ HPGD P15428 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ LMNA P02545 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ HTT P42858 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
SCHEMBL30504433 1.00 HTR1B (0.50) HTR1BKDM4EHTR7MAPTL3MBTL1
SCHEMBL18728167 0.84 HTR7 (0.43) HTR1BKDM4EHTR7MAPTL3MBTL1
SCHEMBL28751083 0.84 CYP1A2 (0.50) HTR1BKDM4EHTR7MAPTL3MBTL1
SCHEMBL18728445 0.84 HTR7 (0.43) HTR1BKDM4EHTR7MAPTL3MBTL1
SCHEMBL29648252 0.84 HTR7 (0.43) HTR1BKDM4EHTR7MAPTL3MBTL1
SCHEMBL29772127 0.84 HTR7 (0.43) HTR1BKDM4EHTR7MAPTL3MBTL1
SCHEMBL26636424 0.82 HTR7 (0.42) HTR1BKDM4EHTR7MAPTL3MBTL1
SCHEMBL18263398 0.81 HTR1B (0.61) HTR1BKDM4EMAPTHPGDLMNA
SCHEMBL26636905 0.81 HTR7 (0.44) HTR1BKDM4EHTR7MAPTL3MBTL1
SCHEMBL21620925 0.80 HTR7 (0.43) HTR1BKDM4EHTR7MAPTL3MBTL1

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
CN-111793077-B PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 东莞市东阳光新药研发有限公司 2023-08-04 — — CN disclosed
CN-111793077-A PD-1/PD-L1 small-molecule inhibitor and application thereof in medicines 东莞市东阳光新药研发有限公司 2020-10-20 — — CN disclosed
US-10745382-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-04-20 — — US disclosed
WO-2017066227-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 — — 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-10745382-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 HTR1B 4346/4885KDM4E 4249/4885HTR7 4476/4885
US-20170107202-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 HTR1B 4346/4885KDM4E 4249/4885HTR7 4476/4885

“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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