SCHEMBL9899674

SCHEMBL9899674

CCC(=O)N[C@@H]1CC[C@H](NC(=O)c2c(C)[nH]c3c(-c4cc(C(F)(F)F)ccc4OCC4CC4)ncnc23)C[C@H]1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCRL2 O00421 4/20 0.34
CRHR1 P34998 10/20 0.33
PTGER1 P34995 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CRHR2 Q13324 1/20 0.33
PDE4B Q07343 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 2/20 0.32

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
SCHEMBL9895941 1.00 CCRL2 (0.34) CCRL2CRHR1PTGER1CNR1CNR2
SCHEMBL9897566 1.00 CCRL2 (0.34) CCRL2CRHR1PTGER1CNR1CNR2
SCHEMBL9895944 1.00 CCRL2 (0.34) CCRL2CRHR1PTGER1CNR1CNR2
SCHEMBL9899850 1.00 CCRL2 (0.34) CCRL2CRHR1PTGER1CNR1CNR2
SCHEMBL9896565 0.97 CCRL2 (0.35) CCRL2CRHR1PTGER1CNR1CNR2
SCHEMBL9897654 0.97 CCRL2 (0.35) CCRL2CRHR1PTGER1CNR1CNR2
SCHEMBL9895533 0.97 CCRL2 (0.35) CCRL2CRHR1PTGER1CNR1CNR2
SCHEMBL9895839 0.97 CCRL2 (0.35) CCRL2CRHR1PTGER1CNR1CNR2
SCHEMBL9895534 0.97 CCRL2 (0.35) CCRL2CRHR1PTGER1CNR1CNR2
SCHEMBL9898072 0.95 CNR1 (0.34) CCRL2CRHR1PTGER1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A CCRL2 3936/4885CRHR1 3405/4885PTGER1 280/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CCRL2 2713/4885CRHR1 3977/4885PTGER1 145/4885

“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.