SCHEMBL23645219

SCHEMBL23645219

CC1(C)OCC2(CCCC(O)C2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
SLC18A3 Q16572 2/20 0.33
NOTUM Q6P988 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30
HTR2B P41595 1/20 0.30
ALDH1A1 P00352 1/20 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
SCHEMBL30291262 0.75 HTR2A (0.31) TRPA1HTR2A
SCHEMBL23645053 0.75 HTR2A (0.31) TRPA1HTR2A
SCHEMBL30291320 0.75 OPRM1 (0.41) SIGMAR1OPRM1ALDH1A1
SCHEMBL23668800 0.75 OPRM1 (0.41) SIGMAR1OPRM1ALDH1A1
SCHEMBL23645472 0.74 SIGMAR1 (0.36) SIGMAR1SLC18A3HTR2AHTR2CHRH1
SCHEMBL30291271 0.72 HTR2A (0.31) HTR2A
SCHEMBL23645682 0.70 POLB (0.33) SIGMAR1NOTUMALDH1A1
SCHEMBL24483057 0.70 SLC18A3 (0.56) SIGMAR1SLC18A3NOTUMOPRM1OPRD1
SCHEMBL23645686 0.69
SCHEMBL23644323 0.69 HDAC4 (0.32)

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 6 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

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 TRPA1 2809/4885SIGMAR1 2466/4885SLC18A3 4634/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS TRPA1 2809/4885SIGMAR1 2466/4885SLC18A3 4634/4885

“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.