SCHEMBL20172883

SCHEMBL20172883

Cc1cccc2c1sc1c(N(C)c3ccccc3C3CCCCC3)cccc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
LMNA P02545 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
PTGS2 P35354 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL20172930 0.91 HTR1A (0.35) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172926 0.90 LMNA (0.35) HTR2CHTR1AHTR7LMNAADRA2A
SCHEMBL20172894 0.86 SLC6A4 (0.32) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172869 0.86 ABCC1 (0.33) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20173632 0.85 PTGS2 (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172914 0.84 PTGS2 (0.31) HTR1AHTR7LMNAPTGS2
SCHEMBL21021045 0.84 ADRA2A (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL21021483 0.84 HTR1D (0.34) HTR1AHTR7LMNAHTR1DHTR1B
SCHEMBL20172941 0.84 ADRA2A (0.32) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL20172902 0.83 SLC6A4 (0.36) HTR1AHTR7

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 HTR2C 2681/4885HTR1A 2933/4885HTR7 3018/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 HTR2C 2958/4885HTR1A 3991/4885HTR7 3913/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 HTR2C 2681/4885HTR1A 2933/4885HTR7 3018/4885

“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.