SCHEMBL6168450

SCHEMBL6168450

CCc1nc(-c2cc3c(cc2OC)CCCC3)c(CC)nc1NC(CCO)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.45
EGFR P00533 3/20 0.39
KCNH2 Q12809 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL6167872 0.91 CRHR1 (0.45) CRHR1EGFRHTTNPSR1
SCHEMBL6172799 0.89 CRHR1 (0.50) CRHR1
SCHEMBL6174523 0.87 CRHR1 (0.46) CRHR1EGFR
SCHEMBL6347154 0.86 CRHR1 (0.48) CRHR1EGFRHTTNPSR1
SCHEMBL6346265 0.86 CRHR1 (0.48) CRHR1EGFRHTTNPSR1
SCHEMBL6167828 0.85 CRHR1 (0.47) CRHR1
SCHEMBL6342774 0.84 CRHR1 (0.48) CRHR1EGFR
SCHEMBL6167996 0.84 CRHR1 (0.48) CRHR1EGFR
SCHEMBL6167869 0.83 CRHR1 (0.55) CRHR1
SCHEMBL6168946 0.81 CRHR1 (0.46) 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-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 US claimed
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 US claimed
US-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 US disclosed
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 US disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO 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-20040053941-A1 Substituted pyrazine derivatives CRHR1, CRHR2, CRH CRHR1 1/4885EGFR 1626/4885KCNH2 2981/4885

“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.