SCHEMBL17440936

SCHEMBL17440936

CCCC1(O)CCCc2ccc(Cl)nc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
NR3C1 P04150 1/20 0.31
KDM1A O60341 2/20 0.31

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
SCHEMBL23376737 0.89 MAP3K14 (0.36) SLC6A4SLC6A3ESR1ESR2KDM4C
SCHEMBL22532060 0.80 MAP3K14 (0.38) ESR1ESR2
SCHEMBL29828611 0.80 MAP3K14 (0.38) ESR1ESR2
SCHEMBL23364873 0.80 MAP3K14 (0.38) ESR1ESR2
SCHEMBL30496896 0.80 MAP3K14 (0.38) ESR1ESR2
SCHEMBL17441186 0.79 KDM1A (0.33) KDM1A
SCHEMBL29310262 0.78 DRD2 (0.35) ESR1ESR2
SCHEMBL17441194 0.76 KDM1A (0.34) KDM1A
SCHEMBL29310253 0.76 DRD2 (0.33) KDM1A
SCHEMBL17441664 0.75 CYP2C19 (0.30) ESR1ESR2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 WO disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 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 (4 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-10246456-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 SLC6A4 4250/4885SLC6A3 4820/4885ESR1 2130/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 SLC6A4 4250/4885SLC6A3 4820/4885ESR1 2130/4885
US-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 SLC6A4 4133/4885SLC6A3 4816/4885ESR1 2183/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 SLC6A4 4133/4885SLC6A3 4816/4885ESR1 2183/4885

“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.