Sugi Predict

Sugi Predict / Compounds / SCHEMBL8286104

SCHEMBL8286104

SCHEMBL8286104

CCC(NC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.43
▸ KIF11 P52732 2/20 0.41
▸ GPR139 Q6DWJ6 1/20 0.40
▸ KCNA5 P22460 1/20 0.40
▸ EEF2K O00418 1/20 0.40
▸ CASR P41180 1/20 0.39
▸ UTS2R Q9UKP6 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MTOR P42345 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL23892009 0.85 PDE2A (0.41) PDE2AKIF11EEF2KUTS2RNPC1
SCHEMBL10087177 0.83 PDE2A (0.46) PDE2AKIF11GPR139KCNA5EEF2K
SCHEMBL11625671 0.83 TAAR1 (0.41) PDE2AKIF11EEF2KUTS2RNPC1
SCHEMBL23891981 0.83 PDE2A (0.42) PDE2AKIF11GPR139KCNA5EEF2K
SCHEMBL8298546 0.83 PDE2A (0.42) PDE2AKIF11GPR139KCNA5EEF2K
SCHEMBL13376374 0.83 PDE2A (0.42) PDE2AKIF11GPR139KCNA5EEF2K
SCHEMBL17243752 0.81 GPBAR1 (0.43) PDE2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL31137199 0.80 PDE2A (0.39) PDE2AKIF11EEF2KUTS2RNPC1
SCHEMBL18255649 0.79 PNMT (0.49) MEN1CYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL11065022 0.79 PNMT (0.49) MEN1CYP1A2CYP3A4CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121617-B1 CB1 RECEPTOR MODULATORS 7TM PHARMA AS (DK) 2014-01-22 — — EP disclosed
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 — — US disclosed
WO-2010131145-A1 CYCLOBUTENEDIONE DERIVATIVES PFIZER LIMITED (GB) 2010-11-18 — — WO disclosed
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 — — US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 — — US disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 — — WO 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-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A PDE2A 8/4885KIF11 2719/4885GPR139 688/4885
US-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 PDE2A 3469/4885KIF11 3251/4885GPR139 25/4885

“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.