SCHEMBL23645472

SCHEMBL23645472

OC1CCCC2(COCc3ccccc32)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.36
SLC18A3 Q16572 2/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL28603430 0.83 HTR2A (0.35) SIGMAR1SLC18A3HTR2AHTR2CHRH1
SCHEMBL23645679 0.80
SCHEMBL23645506 0.80 HDAC4 (0.32)
SCHEMBL30291391 0.78 SIGMAR1 (0.38) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL28601867 0.76
SCHEMBL29793198 0.76 SIGMAR1 (0.33) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL19828185 0.76 SIGMAR1 (0.33) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL23645063 0.75 OPRM1 (0.38) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL23645219 0.74 TRPA1 (0.34) SIGMAR1SLC18A3HTR2AHTR2CHRH1
SCHEMBL23645053 0.72 HTR2A (0.31) HTR2A

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-113087700-B Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2023-03-14 CN disclosed
US-11312724-B2 Spirocyclic tetrahydroquinazolines ASCENTAGE PHARMA (SUZHOU) CO., LTD. 2022-04-26 US 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
US-20210230174-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-29 US disclosed
WO-2021139748-A1 SPIROCYCLIC TETRAHYDROQUINAZOLINES ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-07-15 WO disclosed
CN-113087700-A Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2021-07-09 CN 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 SIGMAR1 2466/4885SLC18A3 4634/4885HTR2A 3503/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS SIGMAR1 2466/4885SLC18A3 4634/4885HTR2A 3503/4885

“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.