SCHEMBL4007982

SCHEMBL4007982

CC1(C)OB(c2ccc(F)c(-c3ccc(C#N)c(Cl)c3)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.43
LPL P06858 7/20 0.43
LIPG Q9Y5X9 7/20 0.43
EGFR P00533 1/20 0.39
CYP11B1 P15538 3/20 0.37
ESR2 Q92731 1/20 0.36
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
AR P10275 2/20 0.34
SLC22A12 Q96S37 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL30015551 0.83 TRPV4 (0.43) LPLLIPGEGFRESR2AR
SCHEMBL748654 0.83 TRPV4 (0.43) LPLLIPGEGFRESR2AR
SCHEMBL6216928 0.81 LPL (0.38) LPLLIPGEGFRESR2PDGFRB
SCHEMBL30376230 0.78 LPL (0.47) CYP11B2LPLLIPGEGFRCYP11B1
SCHEMBL751210 0.78 LPL (0.47) CYP11B2LPLLIPGEGFRCYP11B1
SCHEMBL1514603 0.78 LPL (0.47) LPLLIPGEGFRESR2AR
SCHEMBL30375876 0.78 LPL (0.47) LPLLIPGEGFRESR2AR
SCHEMBL2650626 0.78 LPL (0.41) CYP11B2LPLLIPGEGFRCYP11B1
SCHEMBL2656823 0.78 LPL (0.41) CYP11B2LPLLIPGEGFRCYP11B1
SCHEMBL6924366 0.77 EGFR (0.39) CYP11B2LPLLIPGEGFRCYP11B1

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-7485640-B2 Imidazopyrazinones as GABA-A receptor anxiolytics MERCK SHARP & DOHME LIMITED (GB) 2009-02-03 US disclosed
US-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic MERCK SHARP & DOHME LTD. (GB) 2006-01-19 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-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic GABRA3, GABRA2, GABRA1 CYP11B2 230/4885LPL 4865/4885LIPG 4885/4885

“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.