SCHEMBL5787986

SCHEMBL5787986

Cc1cc(C)c(-c2cn(C)c3c(O[C@H]4CCOC4)cc(C)nc23)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.35
GRM5 P41594 4/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PDE4A P27815 6/20 0.33
CRHR1 P34998 2/20 0.32
ACVR1 Q04771 1/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE2A O00408 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PAX8 Q06710 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
SCHEMBL5787990 1.00 BRD4 (0.35) BRD4GRM5IRAK4PDE4ACRHR1
SCHEMBL5599539 0.83 IRAK4 (0.37) BRD4IRAK4CRHR1
SCHEMBL5788374 0.83 IRAK4 (0.37) BRD4IRAK4CRHR1
SCHEMBL6305307 0.78 CRHR1 (0.46) GRM5PDE4ACRHR1PDE4BPDE4C
SCHEMBL5787424 0.71 CRHR1 (0.41) CRHR1
SCHEMBL5843656 0.71 CRHR1 (0.50) CRHR1
SCHEMBL5787466 0.71 CRHR1 (0.50) CRHR1
SCHEMBL6634034 0.70 SYK (0.38) GRM5PDE4APDE10APDE2APDE4B
SCHEMBL5789970 0.70 CRHR1 (0.40) CRHR1
SCHEMBL7353116 0.69 CRHR1 (0.38) GRM5PDE4ACRHR1PDE10APDE2A

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-0923582-B1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER (US) 2006-09-20 EP disclosed
US-6900217-B2 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC (US) 2005-05-31 US disclosed
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC. 2002-10-17 US disclosed
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CHEN YUHPYNG L (US) 2001-07-12 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-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 BRD4 281/4885GRM5 623/4885IRAK4 4406/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 BRD4 427/4885GRM5 524/4885IRAK4 4381/4885

“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.