SCHEMBL6799682

SCHEMBL6799682

CCC(COC)Nc1cc(C)nc(Oc2c(C)cc(OC)cc2C)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.51
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6797859 0.94 CRHR1 (0.58) CRHR1POLBTSHRMAPK1CYP1A2
SCHEMBL6799763 0.90 CRHR1 (0.51) CRHR1POLBTSHRMAPK1
SCHEMBL5844580 0.84 CRHR1 (0.72) CRHR1
SCHEMBL6793471 0.82 CRHR1 (0.59) CRHR1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5845747 0.81 CRHR1 (0.50) CRHR1
SCHEMBL6804572 0.81 CRHR1 (0.57) CRHR1POLBTSHRMAPK1CYP1A2
SCHEMBL6799308 0.80 CRHR1 (0.49) CRHR1
SCHEMBL6799358 0.79 CRHR1 (0.48) CRHR1
SCHEMBL5845187 0.79 CRHR1 (0.79) CRHR1
SCHEMBL6798181 0.78 CRHR1 (0.52) CRHR1CYP1A2CYP2C19SMN1; SMN2CYP3A4

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-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885POLB 4331/4885TSHR 90/4885

“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.