SCHEMBL5724697

SCHEMBL5724697

COC[C@@H]1C[C@@H](OC)CN1c1c(C)nc(-c2ccc(C(F)(F)F)cc2Cl)n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
TACR3 P29371 1/20 0.42
CRHR1 P34998 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CTSS P25774 2/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
SCD O00767 1/20 0.33
HSD11B1 P28845 1/20 0.33
RORC P51449 3/20 0.33
MCHR1 Q99705 1/20 0.33
DGKZ Q13574 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
SCHEMBL5724045 0.91 TACR1 (0.40) TACR1TACR3CRHR1HCRTR1HCRTR2
SCHEMBL5724385 0.90 TACR1 (0.41) TACR1TACR3CRHR1HCRTR1HCRTR2
SCHEMBL5724293 0.88 CRHR1 (0.37) TACR1TACR3CRHR1ADORA2AADORA1
SCHEMBL5724284 0.82 TACR1 (0.40) TACR1TACR3CRHR1HCRTR1HCRTR2
SCHEMBL5724157 0.79 CRHR1 (0.40) CRHR1ADORA2AADORA1
SCHEMBL5724420 0.78 CRHR1 (0.48) TACR1TACR3CRHR1ADORA2AADORA1
SCHEMBL5724525 0.78 CRHR1 (0.41) TACR1TACR3CRHR1HCRTR1HCRTR2
SCHEMBL5724400 0.72 TACR1 (0.36) TACR1TACR3CRHR1ADORA2AADORA1
SCHEMBL5724194 0.71 CRHR1 (0.40) CRHR1ADORA2AADORA1
SCHEMBL5724470 0.69 CRHR1 (0.35) CRHR1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620428-A1 SUBSTITUTED PYRIMIDINONES AND PYRIMIDINTHIONES AS CRF ANTAGONISTS Pharmacia & Upjohn Company LLC (US) 2006-02-01 EP claimed
US-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones PFIZER INC 2005-06-30 US claimed
WO-2004094408-A1 SUBSTITUTED PYRIMIDINONES AND PYRIMIDINTHIONES AS CRF ANTAGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-11-04 WO claimed
US-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones PFIZER INC 2005-06-30 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 (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-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones CRHR1, CRH, CRHR2 TACR1 17/4885TACR3 153/4885CRHR1 1/4885

“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.