SCHEMBL6491687

SCHEMBL6491687

COC[C@@H]1C[C@@H](OC)CN1c1c(C)nc(-c2ccc(N(C)C)cc2C(F)(F)F)n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
AR P10275 2/20 0.31
CRHR1 P34998 2/20 0.31
CASP3 P42574 2/20 0.31
CASP7 P55210 2/20 0.31

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
SCHEMBL5724240 0.91 TACR1 (0.35) TACR1TACR3ADORA2AADORA1CRHR1
SCHEMBL5724400 0.91 TACR1 (0.36) TACR1TACR3ADORA2AADORA1AR
SCHEMBL5724242 0.87 TACR1 (0.36) TACR1TACR3ADORA2AADORA1CRHR1
SCHEMBL6480590 0.83 TACR1 (0.35) TACR1TACR3ADORA2AADORA1CRHR1
SCHEMBL5724697 0.81 TACR1 (0.42) TACR1TACR3ADORA2AADORA1CRHR1
SCHEMBL5725756 0.78 TACR1 (0.35) TACR1TACR3ADORA2AADORA1CRHR1
SCHEMBL5724157 0.78 CRHR1 (0.40) ADORA2AADORA1CRHR1CASP3CASP7
SCHEMBL5724293 0.78 CRHR1 (0.37) TACR1TACR3ADORA2AADORA1CRHR1
SCHEMBL5724381 0.78 CRHR1 (0.40) TACR1TACR3ADORA2AADORA1CRHR1
SCHEMBL5728233 0.78 CRHR1 (0.40) ADORA2AADORA1CRHR1CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143403-A1 Substituted pyrimidinones and pyrimidinthiones PFIZER INC 2005-06-30 US 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 153/4885ADORA2A 178/4885

“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.