SCHEMBL3586893

SCHEMBL3586893

CCOC(=O)CCc1cc(OC)c(OC2CCN(CC(O)(c3cn(CC4CC4)c4cc(C#N)ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP14 P54578 2/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
KMT2A Q03164 1/20 0.31
TNF P01375 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL3593301 0.92 CNR2 (0.36) USP14CNR1CNR2
SCHEMBL3590798 0.91 USP14 (0.34) USP14KMT2AMAOAMAOB
SCHEMBL13254283 0.89 ALDH1A1 (0.30) ALDH1A1
SCHEMBL3602823 0.88 HRH3 (0.33) USP14KMT2ATNFMAOAMAOB
SCHEMBL3594794 0.86 POLB (0.35) KMT2ATNFALDH1A1
SCHEMBL13282384 0.85 CNR1 (0.33) CNR1CNR2
SCHEMBL14159980 0.85 USP14 (0.38) USP14CNR1CNR2KMT2AALDH1A1
SCHEMBL3599076 0.84 USP14 (0.36) USP14KMT2A
SCHEMBL3600054 0.84 USP14 (0.36) USP14MAOAMAOB
SCHEMBL3591504 0.84 HRH3 (0.36) CNR1CNR2KMT2A

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 USP14 2578/4885CNR1 582/4885CNR2 1364/4885

“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.