SCHEMBL3946680

SCHEMBL3946680

CC(C)(O)C1CCN(c2ncc(Br)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.52
HPGDS O60760 1/20 0.43
OPRK1 P41145 12/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL4171535 0.82 PDE10A (0.50) PDE10AHPGDSLMNASMN1; SMN2POLB
SCHEMBL16466775 0.81 OPRK1 (0.44) OPRK1LMNASMN1; SMN2
SCHEMBL24970193 0.75 HRH4 (0.47) LMNASMN1; SMN2
SCHEMBL4159979 0.74 PDE10A (0.43) PDE10AHPGDSLMNASMN1; SMN2
SCHEMBL4195075 0.73 PDE10A (0.54) PDE10AHPGDSOPRK1LMNASMN1; SMN2
SCHEMBL25925616 0.72 ALDH1A1 (0.44) PDE10AOPRK1SMN1; SMN2POLB
SCHEMBL898877 0.72 CHRNB2 (0.50)
SCHEMBL18483777 0.72 PLAU (0.39) OPRK1POLB
SCHEMBL18837988 0.72 MEN1 (0.53) LMNASMN1; SMN2POLB
SCHEMBL16467124 0.71 PDE10A (0.51) PDE10AHPGDSOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062291-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. 2009-03-05 US disclosed
WO-2009029214-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-03-05 WO disclosed
US-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009025839-A2 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-02-26 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-20090062291-A1 PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PDE10A 1/4885HPGDS 3364/4885OPRK1 1089/4885
US-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE5A, PDE4A, PDE4B PDE10A 8/4885HPGDS 2513/4885OPRK1 784/4885

“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.