SCHEMBL23645508

SCHEMBL23645508

O=C1OCC2(CCCC(OCc3ccccc3)C2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
DPP4 P27487 1/20 0.38
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSK P43235 2/20 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
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PSEN1 P49768 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
SCHEMBL30291301 1.00 SIGMAR1 (0.39) SIGMAR1CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL30291320 0.78 OPRM1 (0.41) SIGMAR1CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL23668800 0.78 OPRM1 (0.41) SIGMAR1CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL23645063 0.78 OPRM1 (0.38) SIGMAR1CYP3A4CYP2C19OPRM1OPRL1
SCHEMBL30291417 0.78 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19RECQLNPSR1
SCHEMBL23645522 0.77 OPRM1 (0.40) SIGMAR1CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL30291243 0.77 OPRM1 (0.40) SIGMAR1CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL23644320 0.76 OPRM1 (0.39) SIGMAR1CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL30291422 0.76 OPRM1 (0.39) SIGMAR1CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL23645494 0.75 HDAC4 (0.41) 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 2466/4885CYP3A4 1428/4885CYP2C9 1764/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS SIGMAR1 2466/4885CYP3A4 1428/4885CYP2C9 1764/4885

“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.