SCHEMBL29673200

SCHEMBL29673200

[2H]C([2H])([2H])C(Oc1ccc(C#N)cc1)(C([2H])([2H])[2H])C([2H])([2H])[2H]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 2/20 0.43
HRH3 Q9Y5N1 5/20 0.42
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
MAOB P27338 2/20 0.40
MAPT P10636 2/20 0.40
KIF11 P52732 1/20 0.39
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MAOA P21397 1/20 0.38
TRPA1 O75762 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL435736 0.87 KIF11 (0.47) ALDH1A1CYP2A6HRH3CA2CA9
SCHEMBL4187742 0.82 KIF11 (0.57) ALDH1A1CYP2A6HRH3CA2CA9
SCHEMBL15241846 0.75 CA2 (0.46) ALDH1A1CYP2A6HRH3CA2CA9
SCHEMBL28062594 0.75 KIF11 (0.48) ALDH1A1CYP2A6HRH3CA2CA9
SCHEMBL22649193 0.75 MAOB (0.44) ALDH1A1CYP2A6HRH3CA2CA9
SCHEMBL22374172 0.74 CA2 (0.44) ALDH1A1CYP2A6HRH3CA2CA9
SCHEMBL20778726 0.74 CA2 (0.46) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL201174 0.74 TRPA1 (0.53) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL29673208 0.74 MAOB (0.47) ALDH1A1CYP2A6HRH3CA2CA9
SCHEMBL11490124 0.74 CA2 (0.44) ALDH1A1CYP2A6HRH3CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4635568-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA Pharmaceuticals Inc. (US) 2025-10-22 EP disclosed
EP-3672954-B1 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-08-13 EP disclosed
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARM INC (US) 2025-06-19 US disclosed
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2024-11-12 US disclosed
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2022-09-22 US disclosed
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2022-05-31 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 (4 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-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885CYP2A6 283/4885HRH3 2662/4885
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885CYP2A6 283/4885HRH3 2662/4885
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885CYP2A6 283/4885HRH3 2662/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 ALDH1A1 240/4885CYP2A6 283/4885HRH3 2662/4885

“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.