SCHEMBL7958092

SCHEMBL7958092

CC(C)(C)OC(=O)N1CCC1I

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
PREP P48147 1/20 0.39
NPC1 O15118 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL21761369 1.00 CHRM2 (0.43) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL12614671 0.89 HSD17B10 (0.51) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL16481774 0.89 HSD17B10 (0.51) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL4474810 0.87 HSD17B10 (0.47) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL3653276 0.84 CHRM2 (0.49) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL3996176 0.82 HSD17B10 (0.52) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL6418166 0.82 NR1H2 (0.43) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL3639448 0.81 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL4702243 0.81 NR1H2 (0.49) CHRM2CHRM1CHRM3HSD17B10HPGD
SCHEMBL5182270 0.81 HPGD (0.41) CHRM2CHRM1CHRM3HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119677749-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2025-03-21 CN disclosed
CN-116438177-A Targeted chimeric compounds, pharmaceutical compositions containing same, and preparation methods and uses thereof 江苏亚虹医药科技股份有限公司 2023-07-14 CN disclosed
WO-2022161166-A1 TARGETING CHIMERIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏亚虹医药科技股份有限公司 2022-08-04 WO disclosed
CN-103270036-B As antiparasitic isoxazoline derivative ZOETIS LLC (US) 2015-11-25 CN disclosed
CN-104583211-A Compounds and methods for antiviral therapy GILEAD SCIENCES INC 2015-04-29 CN disclosed
US-20140213576-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-07-31 US disclosed
WO-2014111380-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-07-24 WO disclosed
CN-103270036-A Isoxazoline derivatives as antiparasitic agents PFIZER 2013-08-28 CN disclosed
US-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-22 US disclosed
WO-2013117645-A1 IMIDAZO [4, 5 -C] PYRIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-08-15 WO disclosed
US-6200978-B1 FOR PREVENTING OR TREATING INFLAMMATORY DISEASES SUCH AS ARTHRITIS, PSORIASIS, ASTHMA, OR INFLAMMATORY BOWEL DISEASE, DISORDERS OF RESPIRATORY FUNCTION, GASTROINTESTINAL DISORDERS SUCH AS FUNCTIONAL BOWEL DISEASE, AS ANALGESICS PFIZER INC. 2001-03-13 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 (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-20130217664-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JAK1, IL6, JAK3 CHRM2 361/4885CHRM1 559/4885CHRM3 1168/4885
US-20140213576-A1 NOVEL COMPOUND USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL6, JAK1, IL6ST CHRM2 3597/4885CHRM1 4237/4885CHRM3 4187/4885

“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.