SCHEMBL20406434

SCHEMBL20406434

COC(=O)N(C)CC(F)(F)c1ccc(Oc2ncccc2-c2ccccc2OC)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.43
▸ GPBAR1 Q8TDU6 5/20 0.39
▸ P2RY1 P47900 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ABL1 P00519 1/20 0.36

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
SCHEMBL20394430 0.92 PDE10A (0.44) PDE10AGPBAR1P2RY1
SCHEMBL20394508 0.92 PDE10A (0.44) PDE10AGPBAR1P2RY1ALDH1A1GAA
SCHEMBL20394266 0.88 PDE10A (0.41) PDE10AGPBAR1P2RY1ALDH1A1
SCHEMBL20394277 0.86 PDE10A (0.40) PDE10AGPBAR1ALDH1A1
SCHEMBL20394425 0.85 PDE10A (0.40) PDE10AGPBAR1
SCHEMBL20394448 0.83 PDE10A (0.45) PDE10AALDH1A1MAPT
SCHEMBL20406787 0.83 PDE10A (0.39) PDE10AGPBAR1
SCHEMBL20394510 0.82 PDE10A (0.43) PDE10AALDH1A1GAAMAPTABL1
SCHEMBL20394197 0.82 PDE10A (0.41) PDE10AALDH1A1
SCHEMBL18661455 0.81 PDE10A (0.43) PDE10AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647675-B2 Biaryl derivative and medicine containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-05-12 — — US disclosed
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2019-02-21 — — US disclosed
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — EP 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-10647675-B2 Biaryl derivative and medicine containing same MAN2B1, CBR3, MANBA PDE10A 4605/4885GPBAR1 2116/4885P2RY1 2487/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA PDE10A 4605/4885GPBAR1 2116/4885P2RY1 2487/4885

“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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