SCHEMBL23644292

SCHEMBL23644292

O=C1OCc2ccccc2C12CCCC(OCc1ccccc1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
DPP4 P27487 1/20 0.38
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSK P43235 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSV O60911 1/20 0.35
CTSS P25774 1/20 0.35
CTSC P53634 1/20 0.35
CTSF Q9UBX1 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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 1.00 SIGMAR1 (0.39) SIGMAR1OPRM1OPRL1DPP4MAOA
SCHEMBL23645484 0.86 SIGMAR1 (0.36) SIGMAR1OPRM1OPRL1DPP4MAOA
SCHEMBL30291282 0.84 HDAC4 (0.39) SIGMAR1OPRM1OPRL1DPP4CTSL
SCHEMBL23645671 0.84 HDAC4 (0.39) SIGMAR1OPRM1OPRL1DPP4CTSL
SCHEMBL23645675 0.80 ALDH1A1 (0.38) ALDH1A1MAPK1
SCHEMBL30291304 0.78 ALDH1A1 (0.36) OPRM1OPRL1ALDH1A1MAPK1
SCHEMBL23645684 0.78 ALDH1A1 (0.36) OPRM1OPRL1ALDH1A1MAPK1
SCHEMBL30291291 0.77 MAPK1 (0.37) SIGMAR1MAOAMAOBALDH1A1MAPK1
SCHEMBL23645474 0.77 MAPK1 (0.37) SIGMAR1MAOAMAOBALDH1A1MAPK1
SCHEMBL23645063 0.76 OPRM1 (0.38) SIGMAR1OPRM1OPRL1DPP4CTSL

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
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 2466/4885OPRM1 2886/4885OPRL1 2634/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS SIGMAR1 2466/4885OPRM1 2886/4885OPRL1 2634/4885

“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.