SCHEMBL13093644

SCHEMBL13093644

CC(C)(C)N1CCNC(c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.36
▸ PRKCQ Q04759 3/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ PRCP P42785 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
SCHEMBL25093280 0.84 GSK3B (0.40) GSK3B
SCHEMBL2140028 0.83 ALDH1A1 (0.38) PDE10AGSK3BALDH1A1KDM4ERPS6KB1
SCHEMBL25094065 0.83 CHRNB2 (0.51) ALDH1A1
SCHEMBL31444433 0.78 GSK3B (0.43) PDE10AGSK3BADRA1AHTR2B
SCHEMBL90572 0.77 PDE10A (0.45) PDE10AGSK3BALDH1A1KDM4ERPS6KB1
SCHEMBL2910280 0.77 PDE10A (0.45) PDE10AGSK3BALDH1A1KDM4ERPS6KB1
SCHEMBL2908444 0.77 PDE10A (0.45) PDE10AGSK3BALDH1A1KDM4ERPS6KB1
Hydrochloric Acid SCHEMBL10626673 0.76 GSK3B (0.45) PDE10AGSK3BALDH1A1KDM4ERPS6KB1
Hydrochloric Acid SCHEMBL27510131 0.76 GSK3B (0.45) PDE10AGSK3BALDH1A1KDM4ERPS6KB1
SCHEMBL9050013 0.75 KDM4E (0.42) PDE10AGSK3BALDH1A1KDM4ERPS6KB1

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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-20230053746-A1 IL-17 LIGANDS AND USES THEREOF DICE MOLECULES SV, INC. 2023-02-23 — — US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 — — US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 — — US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 — — 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 (3 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-20230053746-A1 IL-17 LIGANDS AND USES THEREOF IL17A, IL2, IL15 PDE10A 3480/4885GSK3B 1711/4885HRH3 2645/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF PDE10A 2464/4885GSK3B 994/4885HRH3 2050/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 PDE10A 738/4885GSK3B 1490/4885HRH3 423/4885

“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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