SCHEMBL3601121

SCHEMBL3601121

COCOCC1CCCCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
LTA4H P09960 9/20 0.41
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
MLNR O43193 1/20 0.39
ABCB11 O95342 1/20 0.39
EGFR P00533 1/20 0.39
FYN P06241 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL4974548 0.94 CHRNA3 (0.46) CHRNB4CHRNA3LTA4H
SCHEMBL18455134 0.94 CHRNA3 (0.46) CHRNB4CHRNA3LTA4H
SCHEMBL18948076 0.94 CHRNA3 (0.46) CHRNB4CHRNA3LTA4H
SCHEMBL13484300 0.84
SCHEMBL1771286 0.84
SCHEMBL14176121 0.84
Hydrochloric Acid SCHEMBL12487173 0.82 CHRNB4 (0.45) CHRNB4CHRNA3LTA4HCYP2D6MEN1
Hydrochloric Acid SCHEMBL9978255 0.82 CHRNB4 (0.45) CHRNB4CHRNA3LTA4HCYP2D6MEN1
SCHEMBL12464310 0.80 LTA4H (0.42) CHRNB4CHRNA3LTA4HCYP2D6MEN1
SCHEMBL22018875 0.80 LTA4H (0.42) CHRNB4CHRNA3LTA4HCYP2D6MEN1

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
US-9676727-B2 Myxovirus therapeutics, compounds, and uses related thereto EMORY UNIVERSITY (US) 2017-06-13 US disclosed
EP-2771324-B1 MYXOVIRUS THERAPEUTICS, COMPOUNDS, AND USES RELATED THERETO UNIV EMORY (US) 2017-02-01 EP disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (1 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 CHRNB4 157/4885CHRNA3 174/4885LTA4H 4045/4885

“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.