SCHEMBL16320993

SCHEMBL16320993

CC(C)(C)N(C(=O)O)C1CCn2cc(-c3cccc(F)c3)nc2C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 7/20 0.47
▸ HPGDS O60760 3/20 0.41
▸ WDR5 P61964 5/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMO O15229 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL16320654 0.76 PDE10A (0.63) PDE10AHPGDSWDR5
SCHEMBL16003606 0.76 PDE10A (0.58) PDE10AHPGDS
SCHEMBL16320826 0.75 — —
SCHEMBL16003607 0.74 PDE10A (0.49) PDE10AWDR5ALDH1A1KDM4E
SCHEMBL28336179 0.73 PDE10A (0.47) PDE10AHPGDSWDR5KMO
Hydrochloric Acid SCHEMBL16341367 0.73 PDE10A (0.48) PDE10AWDR5ALDH1A1KDM4E
SCHEMBL16340755 0.73 GPR119 (0.35) HPGD
SCHEMBL16320708 0.70 PDE10A (0.43) PDE10A
SCHEMBL16320986 0.70 PDE10A (0.42) PDE10A
SCHEMBL1921490 0.68 SIGMAR1 (0.56) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 — — 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-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PDE10A 1/4885HPGDS 2649/4885WDR5 1860/4885

“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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