SCHEMBL13930819

SCHEMBL13930819

CCC(C)(CC)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.53
▸ ABL1 P00519 1/20 0.50
▸ RIN1 Q13671 1/20 0.50
▸ BCHE P06276 4/20 0.49
▸ BACE1 P56817 3/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CCR3 P51677 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ OPRM1 P35372 1/20 0.45

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
SCHEMBL14459690 0.91 CYP2D6 (0.56) ACHEABL1RIN1BCHECYP1A2
SCHEMBL13821448 0.91 ACHE (0.60) ACHEABL1RIN1BCHEBACE1
SCHEMBL12384396 0.86 ACHE (0.57) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL14093043 0.86 ACHE (0.57) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL2485710 0.83 HRH1 (0.55) ACHEABL1RIN1BCHEBACE1
SCHEMBL607895 0.83 ACHE (0.54) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL3272029 0.83 ACHE (0.54) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL607896 0.83 ACHE (0.54) ACHEBCHEBACE1CYP1A2CYP3A4
SCHEMBL12228499 0.81 ACHE (0.60) ACHEABL1RIN1BCHEBACE1
SCHEMBL1190640 0.81 ACHE (0.51) ACHEBCHEBACE1CYP1A2CYP3A4

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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 — — US disclosed
US-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof TEIJIN PHARMA LIMITED (JP) 2009-02-26 — — 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-20090054472-A1 Pyrazolopyrimidine Derivatives or Pharmaceutically Acceptable Salts Thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 ACHE 4471/4885ABL1 647/4885RIN1 1248/4885

“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.

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