SCHEMBL1853680

SCHEMBL1853680

NC(CO)Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.59
HTR2A P28223 5/20 0.58
HTR2C P28335 2/20 0.57
MPO P05164 2/20 0.49
SLC6A4 P31645 2/20 0.49
SCN9A Q15858 1/20 0.48
HTR1A P08908 2/20 0.48
NR3C1 P04150 1/20 0.46
ADRB1 P08588 1/20 0.44
ADRA2A P08913 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1E P28566 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL24178281 1.00 GPR84 (0.59) GPR84HTR2AHTR2CMPOSLC6A4
SCHEMBL4640375 1.00 GPR84 (0.59) GPR84HTR2AHTR2CMPOSLC6A4
SCHEMBL5151726 0.88 HTR2A (0.74) GPR84HTR2AHTR2CMPOSLC6A4
SCHEMBL4601546 0.88 HTR2A (0.74) GPR84HTR2AHTR2CMPOSLC6A4
SCHEMBL4633764 0.88 HTR2A (0.74) GPR84HTR2AHTR2CMPOSLC6A4
SCHEMBL26996484 0.85 HTR2A (0.79) GPR84HTR2AHTR2CMPOSLC6A4
SCHEMBL28069265 0.83 HTR2A (0.80) GPR84HTR2AHTR2CSLC6A4HTR1A
SCHEMBL24178315 0.83 HTR2A (0.80) GPR84HTR2AHTR2CSLC6A4HTR1A
SCHEMBL29528195 0.83 HTR2A (0.80) GPR84HTR2AHTR2CSLC6A4HTR1A
SCHEMBL274680 0.83 HTR2A (0.80) GPR84HTR2AHTR2CSLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US disclosed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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 (4 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 GPR84 323/4885HTR2A 11/4885HTR2C 20/4885
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 GPR84 304/4885HTR2A 20/4885HTR2C 26/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA GPR84 2236/4885HTR2A 2155/4885HTR2C 1276/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R GPR84 244/4885HTR2A 11/4885HTR2C 35/4885

“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.