SCHEMBL23385698

SCHEMBL23385698

O=C1CCCC2(C=Cc3ccccc32)C1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.41
HSD11B1 P28845 1/20 0.39

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
SCHEMBL29656597 1.00 OXTR (0.41) OXTRHSD11B1
SCHEMBL746185 0.80 OXTR (0.48) OXTRHSD11B1
SCHEMBL23645444 0.79 OXTR (0.35) OXTR
SCHEMBL23668806 0.79 OXTR (0.35) OXTR
SCHEMBL3923960 0.79 OXTR (0.49) OXTRHSD11B1
SCHEMBL11122795 0.79 OXTR (0.49) OXTRHSD11B1
SCHEMBL24505981 0.77 OXTR (0.48) OXTRHSD11B1
SCHEMBL23686169 0.76 NR1H2 (0.35) HSD11B1
SCHEMBL23668834 0.76 PDE7A (0.37)
SCHEMBL23645062 0.76 PDE7A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114630832-A Pyrimido-cyclic derivative and application thereof in medicine 四川海思科制药有限公司 2022-06-14 CN disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US disclosed
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
WO-2021093758-A1 PYRIMIDO DERIVATIVE AND APPLICATION THEREOF IN MEDICINE 四川海思科制药有限公司 2021-05-20 WO disclosed
WO-2021093758-A1 PYRIMIDO DERIVATIVE AND APPLICATION THEREOF IN MEDICINE 四川海思科制药有限公司 2021-05-20 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-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES KRAS, NRAS, HRAS OXTR 4579/4885HSD11B1 2179/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS OXTR 4579/4885HSD11B1 2179/4885

“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.