SCHEMBL20766314

SCHEMBL20766314

CC(C)Oc1ccc(CNC(=O)N(Cc2ccc(F)cc2Cl)C2CCN(C)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 20/20 0.77
▸ ABCB11 O95342 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ ADRB2 P07550 1/20 0.62
▸ CHRM2 P08172 1/20 0.62
▸ CHRM1 P11229 1/20 0.62
▸ DRD1 P21728 1/20 0.62
▸ TBXA2R P21731 1/20 0.62
▸ SLC6A2 P23975 1/20 0.62
▸ HTR2C P28335 1/20 0.62
▸ GPR183 P32249 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ ADRA1A P35348 1/20 0.62
▸ OPRM1 P35372 1/20 0.62
▸ APLNR P35414 1/20 0.62
▸ DRD3 P35462 1/20 0.62
▸ CX3CR1 P49238 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ GPR65 Q8IYL9 1/20 0.62

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
SCHEMBL30732773 1.00 HTR2A (0.77) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20778703 0.91 HTR2A (0.76) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL22361719 0.91 HTR2A (0.76) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL30523478 0.91 HTR2A (0.76) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20766927 0.90 HTR2A (0.78) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL30732703 0.90 HTR2A (0.78) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20778732 0.89 HTR2A (0.62) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL30523644 0.88 HTR2A (0.72) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20766323 0.88 HTR2A (0.72) HTR2AABCB11CYP1A2ADRB2CHRM2
SCHEMBL20766433 0.88 HTR2A (0.75) HTR2AABCB11CYP1A2ADRB2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2022-09-22 — — US claimed
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases ACADIA PHARMACEUTICALS INC. (US) 2022-05-31 — — US claimed
US-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2020-08-27 — — US claimed
EP-3672954-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 — — EP claimed
CN-111132976-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2020-05-08 — — CN claimed
WO-2019040107-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 — — WO claimed
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

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-20200270239-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 HTR2A 3889/4885ABCB11 17/4885CYP1A2 385/4885
US-20220298151-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, CYP27A1, CYP11B2 HTR2A 3889/4885ABCB11 17/4885CYP1A2 385/4885
US-11345693-B2 Compounds, salts thereof and methods for treatment of diseases SLC10A1, CYP27A1, CYP11B2 HTR2A 3889/4885ABCB11 17/4885CYP1A2 385/4885

“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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