SCHEMBL21175808

SCHEMBL21175808

COCCCOc1cc(C2COC(C)(C)C2N)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
ATM Q13315 1/20 0.31
HTR1A P08908 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
REN P00797 2/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21175956 0.87 SLC6A4 (0.37) SLC6A4ATMHTR1AL3MBTL1REN
SCHEMBL21175739 0.81 KDM4E (0.33) SLC6A4L3MBTL1RENMEN1ALDH1A1
SCHEMBL21175971 0.75 SLC6A4 (0.36) SLC6A4ATMHTR1AL3MBTL1REN
SCHEMBL19272933 0.69 PDE4B (0.34) REN
SCHEMBL19252780 0.69 PDE4A (0.36) REN
SCHEMBL21175955 0.69 REN (0.34) SLC6A4REN
SCHEMBL18423334 0.68 PDE4B (0.40) REN
SCHEMBL29613148 0.68 PDE4B (0.40) REN
SCHEMBL22589647 0.67 SLC6A4 (0.42) SLC6A4ATML3MBTL1RENNPC1
SCHEMBL19252796 0.67 CYP2C9 (0.36) SLC6A4ATML3MBTL1NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058678-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
WO-2019143902-A2 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-07-25 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-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 SLC6A4 4414/4885ATM 4804/4885HTR1A 4241/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 SLC6A4 4414/4885ATM 4804/4885HTR1A 4241/4885

“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.