SCHEMBL20767348

SCHEMBL20767348

COc1cc(OC(C)C)ccc1C#N

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.59
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
PGR P06401 1/20 0.44
CYP2D6 P10635 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
NOS2 P35228 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 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
SCHEMBL3599842 0.86 CYP2D6 (0.53) ARALDH1A1KDM4EUSP2PGR
SCHEMBL1608900 0.83 AR (0.69) ARALDH1A1KDM4EUSP2PGR
SCHEMBL19614574 0.83 AR (0.52) ARALDH1A1KDM4EUSP2PGR
SCHEMBL25027661 0.81 CYP11B1 (0.42) ARPGRCYP11B1CYP11B2
SCHEMBL17871737 0.81 CYP11B1 (0.43) ARALDH1A1KDM4EUSP2PGR
SCHEMBL2723599 0.80 AR (0.56) ARALDH1A1KDM4EUSP2PGR
SCHEMBL4196796 0.79 AR (0.52) ARPGRCYP2D6SLC6A2SLC6A4
SCHEMBL9034957 0.79 NPC1 (0.48) ARALDH1A1KDM4EUSP2CYP2D6
SCHEMBL24074650 0.79 AR (0.46) ARALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL10636549 0.77 CA2 (0.64) ALDH1A1KDM4ECYP2D6GAA

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 12 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
CN-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 CN disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 CN 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
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2020-08-27 US disclosed
EP-3672954-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP disclosed
CN-111132976-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2020-05-08 CN disclosed
WO-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO 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 (5 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-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 AR 1936/4885ALDH1A1 240/4885KDM4E 4595/4885
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 AR 1936/4885ALDH1A1 240/4885KDM4E 4595/4885
US-12139477-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 AR 1936/4885ALDH1A1 240/4885KDM4E 4595/4885
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 AR 1936/4885ALDH1A1 240/4885KDM4E 4595/4885
US-20250197385-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 AR 1936/4885ALDH1A1 240/4885KDM4E 4595/4885

“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.