SCHEMBL3842406

SCHEMBL3842406

COCCN[C@@H]1Cc2ccccc2[C@H]1Nc1nc(C2CC2)c(-c2ccc(Cl)cc2Cl)nc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
MAPK14 Q16539 1/20 0.34
KCNH2 Q12809 1/20 0.34
GHSR Q92847 1/20 0.34
CNR1 P21554 3/20 0.33
CYP3A4 P08684 1/20 0.32
DPP4 P27487 1/20 0.32
ALPL P05186 1/20 0.32
CNR2 P34972 1/20 0.31
SLC6A3 Q01959 1/20 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
SCHEMBL3838468 0.89 CRHR1 (0.36) CRHR1CNR1CNR2
SCHEMBL3840875 0.82 CNR1 (0.41) KCNH2CNR1CNR2SLC6A3
SCHEMBL3840873 0.82 CNR1 (0.41) KCNH2CNR1CNR2SLC6A3
SCHEMBL3838876 0.81 CRHR1 (0.45) CRHR1
SCHEMBL3843409 0.81 CNR1 (0.36) CRHR1CNR1CYP3A4DPP4CNR2
SCHEMBL3838038 0.81 CNR1 (0.39) CRHR1CNR1CNR2SLC6A3
SCHEMBL3845332 0.79 CNR1 (0.34) CRHR1CNR1CYP3A4DPP4CNR2
SCHEMBL3842548 0.75 CRHR1 (0.44) CRHR1
SCHEMBL3845625 0.75 CRHR1 (0.50) CRHR1
SCHEMBL3844752 0.75 CRHR1 (0.48) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US claimed
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A CRHR1 27/4885OPRM1 189/4885OPRD1 62/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A CRHR1 27/4885OPRM1 189/4885OPRD1 62/4885

“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.