SCHEMBL9897337

SCHEMBL9897337

COCC(=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 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.34
CRHR2 Q13324 2/20 0.34
PDE2A O00408 1/20 0.33
PTGER1 P34995 1/20 0.32
CCRL2 O00421 2/20 0.32
RBP4 P02753 1/20 0.32
TTR P02766 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 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
SCHEMBL9897275 1.00 CRHR1 (0.34) CRHR1CRHR2PDE2APTGER1CCRL2
SCHEMBL9896064 1.00 CRHR1 (0.34) CRHR1CRHR2PDE2APTGER1CCRL2
SCHEMBL9896042 1.00 CRHR1 (0.34) CRHR1CRHR2PDE2APTGER1CCRL2
SCHEMBL9896041 1.00 CRHR1 (0.34) CRHR1CRHR2PDE2APTGER1CCRL2
SCHEMBL9897004 0.97 PDE2A (0.34) CRHR1CRHR2PDE2APTGER1CCRL2
SCHEMBL9899178 0.97 PDE2A (0.34) CRHR1CRHR2PDE2APTGER1CCRL2
SCHEMBL9897700 0.97 PDE2A (0.34) CRHR1CRHR2PDE2APTGER1CCRL2
SCHEMBL9897666 0.97 PDE2A (0.34) CRHR1CRHR2PDE2APTGER1CCRL2
SCHEMBL9897006 0.97 PDE2A (0.34) CRHR1CRHR2PDE2APTGER1CCRL2
SCHEMBL9897566 0.94 CCRL2 (0.34) CRHR1CRHR2PTGER1CCRL2CNR1

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 CRHR1 3405/4885CRHR2 2734/4885PDE2A 5/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A CRHR1 3977/4885CRHR2 3461/4885PDE2A 7/4885

“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.