SCHEMBL21020320

SCHEMBL21020320

CN(c1ccc(F)cc1)c1cccc2c1sc1c(C3CCCCC3)cccc12

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
PSMB5 P28074 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
TRPA1 O75762 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
SCHEMBL20650754 0.89 LMNA (0.33) HTR1AHTR7PSMB5
SCHEMBL21021495 0.89 HTR1A (0.36) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL21019999 0.87 HTR1A (0.32) HTR1AHTR7
SCHEMBL21020460 0.86 RAB9A (0.32) HTR1AHTR7ADRA2A
SCHEMBL21020461 0.86 ADRA2A (0.31) HTR1AHTR7ADRA2AADRA2BADRA2C
SCHEMBL21020318 0.86 PSMB5 (0.32) HTR1AHTR7PSMB5
SCHEMBL20650760 0.86
SCHEMBL21020319 0.85 MCOLN3 (0.34) HTR1AHTR7
SCHEMBL21020002 0.85 TDP1 (0.34)
SCHEMBL20172933 0.84 MEN1 (0.34) HTR1AHTR7ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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 (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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 HTR1A 3991/4885HTR7 3913/4885PSMB5 4011/4885

“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.