SCHEMBL21606227

SCHEMBL21606227

CC(C)C(=O)NC1(C)CCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.34
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20350165 0.93 HDAC3 (0.33) GPR88NPSR1ALDH1A1
SCHEMBL12315743 0.93 HDAC3 (0.33) GPR88NPSR1ALDH1A1
SCHEMBL16144325 0.91 FFAR3 (0.31)
SCHEMBL18804822 0.82 EPHX2 (0.30)
SCHEMBL18390315 0.81 CYP1A2 (0.38)
SCHEMBL10330910 0.80
SCHEMBL21606246 0.79 CYP3A4 (0.33) GPR88CYP2C19
SCHEMBL18347937 0.79 CYP1A2 (0.34) TSHRMAPT
SCHEMBL24963553 0.79
SCHEMBL18804813 0.79 IDO1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections THE SCRIPPS RESEARCH INSTITUTE (US) 2023-07-25 US disclosed
WO-2023072096-A1 TETRAHYDROFURAN-CONTAINING POLYCYCLIC DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 优领医药科技(香港)有限公司 2023-05-04 WO disclosed
US-20230002324-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS PTC THERAPEUTICS, INC. 2023-01-05 US disclosed
WO-2019243851-A1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LIMITED (GB) 2019-12-26 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 (2 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-20230002324-A1 NAPHTHOQUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISORDERS NFE2L2, AIFM2, GPX4 GPR88 4124/4885TSHR 3583/4885NFKB1 375/4885
US-11708348-B2 Protease inhibitors for treatment of coronavirus infections ACE, ACE2, TMPRSS2 GPR88 3387/4885TSHR 1794/4885NFKB1 1311/4885

“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.