SCHEMBL24820902

SCHEMBL24820902

CC(C)(C)OC(=O)N1CCc2ccc(Cc3ccc(C=O)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
MPO P05164 1/20 0.42
DHODH Q02127 1/20 0.41
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GHSR Q92847 1/20 0.39
GPR119 Q8TDV5 7/20 0.38
KDM1A O60341 1/20 0.37
NOTUM Q6P988 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL3211223 0.89 CHRM4 (0.53) CHRM4DRD2HTR7DHODHESR2
SCHEMBL29159709 0.86 CHRM4 (0.48) CHRM4DRD2HTR7DHODHESR2
SCHEMBL11977137 0.86 DRD2 (0.50) CHRM4DRD2HTR7MPODHODH
SCHEMBL3208941 0.83 DRD2 (0.52) CHRM4DRD2HTR7MPODHODH
SCHEMBL29888719 0.83 DRD2 (0.52) CHRM4DRD2HTR7MPODHODH
SCHEMBL27212338 0.82 XIAP (0.47) DRD2XIAPBIRC2NOTUMNPC1
SCHEMBL11976686 0.81 DRD2 (0.48) CHRM4DRD2HTR7MPODHODH
SCHEMBL1467859 0.81 MEN1 (0.48) CHRM4DRD2HTR7DHODHESR2
SCHEMBL17494944 0.81 CHRM4 (0.52) CHRM4DRD2HTR7DHODHESR2
SCHEMBL3905057 0.76 ESR2 (0.61) CHRM4DRD2HTR7DHODHESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119156230-A Ligand-drug conjugates and uses thereof 江苏先声药业有限公司 2024-12-17 CN disclosed
US-20240307415-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF JIANGSU SIMCERE PHARMACEUTICAL CO., LTD. (CN) 2024-09-19 US disclosed
EP-4365183-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Jiangsu Simcere Pharmaceutical Co., Ltd. (CN) 2024-05-08 EP disclosed
CN-117580849-A Steroid compound, pharmaceutical composition and application thereof 江苏先声药业有限公司 2024-02-20 CN disclosed
WO-2023186072-A1 LIGAND-DRUG CONJUGATE AND USE THEREOF 江苏先声药业有限公司 2023-10-05 WO disclosed
WO-2022268176-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 江苏先声药业有限公司 2022-12-29 WO disclosed
WO-2022268176-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 江苏先声药业有限公司 2022-12-29 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 (1 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-20240307415-A1 STEROID COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF NR5A1, HSD17B7, CYP17A1 CHRM4 4834/4885DRD2 3615/4885HTR7 3184/4885

“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.