SCHEMBL3601137

SCHEMBL3601137

CCC(C(=O)O)c1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc(C#N)ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.35
HRH3 Q9Y5N1 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CHRM2 P08172 3/20 0.34
CHRM1 P11229 3/20 0.34
CHRM4 P08173 1/20 0.33
ACHE P22303 1/20 0.33
CCR5 P51681 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
SCHEMBL3589024 0.96 GPR6 (0.34) GPR6HRH3TP53MAPTCHRM2
SCHEMBL3595718 0.96 GPR6 (0.35) GPR6HRH3TP53MAPTCHRM2
SCHEMBL3595378 0.94 GPR6 (0.34) GPR6HRH3
SCHEMBL3589355 0.92 GPR6 (0.35) GPR6HRH3TP53MAPTCHRM2
SCHEMBL3592879 0.91 HRH3 (0.44) HRH3CHRM2
SCHEMBL3594452 0.90 GPR6 (0.34) GPR6
SCHEMBL3594150 0.89 HRH3 (0.41) GPR6HRH3CHRM2CHRM1ACHE
SCHEMBL3596047 0.88 SIGMAR1 (0.40) GPR6HRH3CHRM2CHRM1CHRM4
SCHEMBL3602364 0.88 AKR1C3 (0.37) TP53MAPTCHRM2CHRM1CCR5
SCHEMBL3602359 0.88 AKR1C3 (0.37) TP53MAPTCHRM2CHRM1CCR5

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 GPR6 154/4885HRH3 832/4885TP53 3579/4885

“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.