SCHEMBL10087189

SCHEMBL10087189

C[C@H](c1ccc(OC(F)(F)F)cc1)N(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.47
ALDH1A1 P00352 2/20 0.43
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 2/20 0.38
SLC7A5 Q01650 2/20 0.35
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 0.35
ATP1A2 P50993 1/20 0.35
ATP1B3 P54709 1/20 0.35
FXYD2 P54710 1/20 0.35
ATP1A4 Q13733 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL10087250 0.84 PDE2A (0.51) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL10087166 0.81 PDE2A (0.49) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL14180926 0.79 SLC7A5 (0.51) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL14180928 0.79 SLC7A5 (0.51) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL22957898 0.76 PDE2A (0.44) PDE2ASLC6A4SLC6A3
SCHEMBL5924733 0.76 PDE2A (0.54) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL84428 0.75 ALDH1A1 (0.65) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL2056155 0.75 PDE2A (0.58) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL22349258 0.74 PDE2A (0.53) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL17069295 0.74 PDE2A (0.53) PDE2AALDH1A1SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 US disclosed
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 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-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 PDE2A 3469/4885ALDH1A1 3325/4885SLC6A4 1347/4885

“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.