SCHEMBL19469643

SCHEMBL19469643

COC(=O)C1CCc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.41
HTR2C P28335 4/20 0.41
SLC6A4 P31645 2/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HTR2A P28223 3/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDE1B Q01064 4/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MTNR1A P48039 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
SCHEMBL24542973 0.91 LMNA (0.43) HTR2BHTR2CSLC6A4PTGDRPTGDR2
SCHEMBL29673142 0.91 LMNA (0.43) HTR2BHTR2CSLC6A4PTGDRPTGDR2
SCHEMBL29552779 0.88 P2RX7 (0.46) HTR2BHTR2CHTR2APDE4DPDE10A
SCHEMBL19285262 0.88 P2RX7 (0.46) HTR2BHTR2CHTR2APDE4DPDE10A
SCHEMBL23670494 0.88 P2RX7 (0.46) HTR2BHTR2CHTR2APDE4DPDE10A
SCHEMBL19469653 0.88 P2RX7 (0.46) HTR2BHTR2CHTR2APDE4DPDE10A
SCHEMBL2812915 0.83 NQO2 (0.48) MAOAMAOBMTNR1A
SCHEMBL23715022 0.82 HTR2A (0.41) HTR2BHTR2CSLC6A4HTR2APDE1B
SCHEMBL21788517 0.82 PIN1 (0.51) HTR2CHTR2APDE1BMTNR1APIN1
SCHEMBL2842735 0.82 MTNR1A (0.58) MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 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 (2 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-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 HTR2B 3843/4885HTR2C 4290/4885SLC6A4 3504/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 HTR2B 3843/4885HTR2C 4290/4885SLC6A4 3504/4885

“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.