SCHEMBL3773674

SCHEMBL3773674

C=CCc1c[nH]c2ccc(F)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.67
HTR2A P28223 4/20 0.63
HTR1A P08908 2/20 0.63
HTR2C P28335 2/20 0.63
SLC6A4 P31645 2/20 0.63
ADRA2A P08913 1/20 0.63
DRD2 P14416 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
SLC6A2 P23975 1/20 0.63
HTR1D P28221 1/20 0.63
HTR1B P28222 1/20 0.63
HTR1E P28566 1/20 0.63
HTR7 P34969 1/20 0.63
ADRA1A P35348 1/20 0.63
HRH1 P35367 1/20 0.63
DRD3 P35462 1/20 0.63
OPRK1 P41145 1/20 0.63
HTR2B P41595 1/20 0.63
HTR5A P47898 1/20 0.63

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
SCHEMBL24693250 0.84 SLC6A4 (0.68) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL12070105 0.84 ICMT (0.50) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL2122448 0.83 GPR84 (0.67) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL5793206 0.83 GPR84 (0.67) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL3741788 0.81 GPR84 (0.73) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL18615266 0.81 MPO (0.65) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL3780400 0.81 GPR84 (0.63) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL13730631 0.81 MPO (0.65) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL18383118 0.80 GPR84 (1.00) GPR84HTR2AHTR1AHTR2CSLC6A4
SCHEMBL30913603 0.80 GPR84 (1.00) GPR84HTR2AHTR1AHTR2CSLC6A4

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-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS UNIVERSITE LIBRE DE BEUXELLES (BE) 2012-05-17 US disclosed
WO-2010136546-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS Université Libre de Bruxelles (BE) 2010-12-02 WO 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-20120122948-A1 3-ALKYL-5-FLUOROINDOLE DERIVATIVES AS MYELOPEROXIDASE INHIBITORS MPO, SERPINB1, MAOA GPR84 2238/4885HTR2A 145/4885HTR1A 37/4885

“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.