SCHEMBL23645484

SCHEMBL23645484

O=C1OCc2cccc(F)c2C12CCCC(OCc1ccccc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
HDAC4 P56524 2/20 0.36
OPRM1 P35372 4/20 0.34
OPRL1 P41146 4/20 0.34
DPP4 P27487 1/20 0.34
OPRK1 P41145 2/20 0.34
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSK P43235 2/20 0.32
CTSV O60911 1/20 0.32
CTSS P25774 1/20 0.32
CTSC P53634 1/20 0.32
CTSF Q9UBX1 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
EPHX2 P34913 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31

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
SCHEMBL30291308 0.86 SIGMAR1 (0.39) SIGMAR1HDAC4OPRM1OPRL1DPP4
SCHEMBL23644292 0.86 SIGMAR1 (0.39) SIGMAR1HDAC4OPRM1OPRL1DPP4
SCHEMBL23645671 0.86 HDAC4 (0.39) SIGMAR1HDAC4OPRM1OPRL1DPP4
SCHEMBL30291282 0.86 HDAC4 (0.39) SIGMAR1HDAC4OPRM1OPRL1DPP4
SCHEMBL23645676 0.77 HDAC4 (0.37) SIGMAR1HDAC4OPRM1OPRL1DPP4
SCHEMBL30291219 0.69 HDAC4 (0.41) SIGMAR1HDAC4OPRM1OPRL1DPP4
SCHEMBL23645494 0.69 HDAC4 (0.41) SIGMAR1HDAC4OPRM1OPRL1DPP4
SCHEMBL22111662 0.68 OPRM1 (0.48) SIGMAR1OPRM1OPRL1DPP4CTSL
SCHEMBL23645514 0.67 DPP4 (0.39) SIGMAR1HDAC4OPRM1OPRL1DPP4
SCHEMBL23668818 0.67 KDM1A (0.36) SIGMAR1CTSLCTSBCTSKCTSV

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 SIGMAR1 2466/4885HDAC4 3767/4885OPRM1 2886/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS SIGMAR1 2466/4885HDAC4 3767/4885OPRM1 2886/4885

“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.