SCHEMBL14352218

SCHEMBL14352218

ONCCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYSLTR1 Q9Y271 2/20 0.46
▸ CYSLTR2 Q9NS75 1/20 0.46
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC8 Q9BY41 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL2913941 0.82 PDE10A (0.61) PDE10ACYP1A2CYSLTR1CYSLTR2CYP3A4
SCHEMBL9688391 0.81 PDE10A (0.50) PDE10ACYP1A2CYSLTR1CYSLTR2CYP3A4
SCHEMBL5547093 0.81 HDAC1 (0.55) CYP1A2CYSLTR1CYSLTR2HDAC1HDAC2
SCHEMBL29858122 0.80 HTT (0.55) CYP1A2HDAC1HDAC2ALDH1A1
SCHEMBL19385987 0.80 HTT (0.55) CYP1A2HDAC1HDAC2ALDH1A1
SCHEMBL296473 0.79 PDE10A (0.50) PDE10ACYP1A2CYSLTR1CYSLTR2CYP3A4
SCHEMBL6798820 0.78 CYSLTR2 (0.53) PDE10ACYP1A2CYSLTR1CYSLTR2CYP3A4
SCHEMBL22493232 0.77 PDE10A (0.47) PDE10ACYP1A2CYSLTR1CYSLTR2CYP3A4
SCHEMBL8188980 0.77 CYP1A2 (0.46) PDE10ACYP1A2CYSLTR1CYSLTR2HDAC1
SCHEMBL2334595 0.76 CYSLTR2 (0.52) PDE10ACYP1A2CYSLTR1CYSLTR2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-08-09 — — US disclosed
US-9938269-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2018-04-10 — — US disclosed
EP-2726479-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-05-07 — — EP disclosed
WO-2013000994-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-01-03 — — WO disclosed
US-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBOTT LABORATORIES (US) 2013-01-03 — — 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 (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-20130005705-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A PDE10A 13/4885CYP1A2 714/4885CYSLTR1 2669/4885
US-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A PDE10A 13/4885CYP1A2 714/4885CYSLTR1 2669/4885

“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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