SCHEMBL4098007

SCHEMBL4098007

CCC(C(=O)O)n1nc(C)c(Oc2ccc(C#N)c(C)c2)c1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.37
AR P10275 7/20 0.35
PGR P06401 3/20 0.35
FFAR4 Q5NUL3 3/20 0.34
NR3C2 P08235 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL4114375 0.91 MRGPRX4 (0.36) MRGPRX4ARPGRFFAR4NR3C2
SCHEMBL4110055 0.88 ALDH1A1 (0.34) PGRFFAR4
SCHEMBL4104942 0.87 PGR (0.47) PGR
SCHEMBL4102622 0.85 MRGPRX4 (0.37) MRGPRX4ARPGRFFAR4NR3C2
SCHEMBL4962255 0.82 MRGPRX4 (0.40) MRGPRX4ARPGRFFAR4NR3C2
SCHEMBL4114557 0.81 AR (0.37) MRGPRX4ARPGR
SCHEMBL4104393 0.80 KDM4E (0.34) PGRFFAR4
SCHEMBL4106028 0.79 AR (0.46) AR
SCHEMBL4098285 0.78 PGR (0.48) MRGPRX4ARPGRFFAR4NR3C2
SCHEMBL4102882 0.77 PGR (0.47) PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 MRGPRX4 218/4885AR 387/4885PGR 57/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 MRGPRX4 262/4885AR 400/4885PGR 87/4885

“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.