SCHEMBL21404239

SCHEMBL21404239

COC(=O)C12CCC(C(=O)O)(C1)C2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
CHRM1 P11229 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR3 O14843 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GRM1 Q13255 2/20 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
SCHEMBL3213118 0.91 NPSR1 (0.39) NPSR1LMNACHRM1MEN1KMT2A
SCHEMBL1536077 0.91 NPSR1 (0.38) NPSR1LMNACHRM1MEN1KMT2A
SCHEMBL16875558 0.91 NPSR1 (0.38) NPSR1LMNACHRM1MEN1KMT2A
SCHEMBL21404238 0.91 NPSR1 (0.43) NPSR1LMNACHRM1MEN1KMT2A
SCHEMBL9143861 0.86 MEN1 (0.37) NPSR1LMNACHRM1MEN1KMT2A
SCHEMBL20851067 0.86 MEN1 (0.37) NPSR1LMNACHRM1MEN1KMT2A
SCHEMBL5080920 0.86 MEN1 (0.37) NPSR1LMNACHRM1MEN1KMT2A
SCHEMBL5080951 0.86 MEN1 (0.37) NPSR1LMNACHRM1MEN1KMT2A
SCHEMBL5080834 0.86 MEN1 (0.37) NPSR1LMNACHRM1MEN1KMT2A
SCHEMBL646389 0.86 CHRM1 (0.41) NPSR1LMNACHRM1MEN1KMT2A

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
CN-117897382-A Nitrogen-containing tricyclic compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2024-04-16 CN disclosed
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 US disclosed
CN-111741948-B Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof 日本烟草产业株式会社 2023-11-10 CN disclosed
EP-3760619-B1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2023-10-25 EP disclosed
US-20220119355-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2022-04-21 US disclosed
EP-3760619-A1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2021-01-06 EP disclosed
US-20190300490-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2019-10-03 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-20190300490-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF RORC, RORB, RORA NPSR1 246/4885LMNA 4466/4885CHRM1 3983/4885
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof RORC, RORB, RORA NPSR1 253/4885LMNA 4380/4885CHRM1 3677/4885
US-20220119355-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF RORC, RORB, RORA NPSR1 253/4885LMNA 4380/4885CHRM1 3677/4885

“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.