SCHEMBL20172894

SCHEMBL20172894

CN(c1ccccc1C1CCCCC1)c1cccc2c1sc1c(F)cccc12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.32
PTGS2 P35354 1/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
OPRL1 P41146 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 2/20 0.30
HTR1B P28222 2/20 0.30
MEN1 O00255 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
SCHEMBL20172933 0.90 MEN1 (0.34) SLC6A4PTGS2HTR1AHTR7KDM4E
SCHEMBL20172930 0.90 HTR1A (0.35) PTGS2HTR1AHTR7KDM4EADRA2A
SCHEMBL20172883 0.86 HTR2C (0.33) PTGS2HTR1AHTR7ADRA2AADRA2B
SCHEMBL20650749 0.86 KDM4E (0.31) PTGS2KDM4EGAAOPRL1
SCHEMBL20172869 0.85 ABCC1 (0.33) PTGS2HTR1AHTR7ADRA2AADRA2B
SCHEMBL20172925 0.85 HTR2C (0.36) SLC6A4PTGS2HTR1AHTR7GAA
SCHEMBL20173632 0.84 PTGS2 (0.34) PTGS2HTR1AHTR7ADRA2AADRA2B
SCHEMBL21021045 0.83 ADRA2A (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL21021483 0.83 HTR1D (0.34) SLC6A4PTGS2HTR1AHTR7HTR1D
SCHEMBL20172914 0.83 PTGS2 (0.31) PTGS2HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 SLC6A4 3332/4885PTGS2 2509/4885HTR1A 2933/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 SLC6A4 874/4885PTGS2 3724/4885HTR1A 3991/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 SLC6A4 3332/4885PTGS2 2509/4885HTR1A 2933/4885

“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.