SCHEMBL5533900

SCHEMBL5533900

CCCC(CC)Oc1nc(CC)c(-c2ccccc2OCCCl)nc1CC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.51
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRB2 P07550 1/20 0.33
KDM4E B2RXH2 3/20 0.32
PKM P14618 1/20 0.32
GCGR P47871 1/20 0.32
HTR7 P34969 1/20 0.32
PDE5A O76074 4/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5533898 0.85 CRHR1 (0.53) CRHR1
SCHEMBL5535716 0.84 CRHR1 (0.52) CRHR1
SCHEMBL5533902 0.81 CRHR1 (0.46) CRHR1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL5535711 0.79 CRHR1 (0.52) CRHR1
SCHEMBL5417812 0.75 CRHR1 (0.48) CRHR1
SCHEMBL5414425 0.74 CRHR1 (0.58) CRHR1
SCHEMBL5409778 0.74 CRHR1 (0.64) CRHR1
SCHEMBL5417334 0.73 CRHR1 (0.86) CRHR1
SCHEMBL5440212 0.73 CRHR1 (0.52) CRHR1
SCHEMBL5412865 0.73 CRHR1 (0.57) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CRHR1 1/4885CYP1A2 658/4885CYP19A1 2020/4885

“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.