SCHEMBL3602823

SCHEMBL3602823

CCOC(=O)CCCc1cc(OC)c(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc(C#N)ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM2 P08172 3/20 0.32
SIGMAR1 Q99720 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
GPR6 P46095 2/20 0.32
TNF P01375 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
CTSD P07339 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
CHRM1 P11229 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP14 P54578 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
SCHEMBL3590798 0.96 USP14 (0.34) HRH3HTR1ACHRM2SIGMAR1BCHE
SCHEMBL3589687 0.93 HRH3 (0.35) HRH3HTR1ACHRM2SIGMAR1BCHE
SCHEMBL3591504 0.91 HRH3 (0.36) HRH3CHRM2SIGMAR1BCHEACHE
SCHEMBL3599076 0.90 USP14 (0.36) HRH3CHRM2SIGMAR1BCHEACHE
SCHEMBL13254262 0.89 SIGMAR1 (0.32) SIGMAR1BCHEACHEALPLALPI
SCHEMBL3586893 0.88 USP14 (0.35) TNFMAOAMAOBKMT2AUSP14
SCHEMBL13282345 0.87 SIGMAR1 (0.37) HRH3CHRM2SIGMAR1GPR6MAOA
SCHEMBL3602675 0.87 BCHE (0.35) SIGMAR1BCHEACHECYSLTR2CYSLTR1
SCHEMBL3583725 0.87 HRH3 (0.37) HRH3CHRM2BCHEACHEGPR6
SCHEMBL3597752 0.86 OPRK1 (0.37) SIGMAR1BCHEACHE

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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 HRH3 832/4885HTR1A 2922/4885CHRM2 818/4885

“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.