SCHEMBL9900853

SCHEMBL9900853

Fc1cnc(OC2CNC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A3 Q01959 4/20 0.41
HTR1A P08908 6/20 0.39
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR6 P50406 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
Hydrochloric Acid SCHEMBL4114449 0.98 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
SCHEMBL23830992 0.85 CHRNB2 (0.46) SLC6A2HTR1AHTR2CHTR2BCHRM1
SCHEMBL23830994 0.85 CHRNB2 (0.46) SLC6A2HTR1AHTR2CHTR2BCHRM1
Methane SCHEMBL29003897 0.84 CHRNB2 (0.45) SLC6A2HTR1AHTR2CHTR2BCHRM1
SCHEMBL940760 0.81 HRH1 (0.43) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL24655827 0.80 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3HTR1ACHRM1
SCHEMBL23377551 0.79 CYP11B2 (0.32) CYP11B1CYP11B2
SCHEMBL2264567 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR1ACHRM1
SCHEMBL14861667 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR1AHTR2C
Hydrochloric Acid SCHEMBL14861614 0.75 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3HTR1ACHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
EP-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 EP disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 WO disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 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-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, CNR1 SLC6A2 2859/4885SLC6A4 738/4885SLC6A3 2111/4885

“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.