SCHEMBL23645522

SCHEMBL23645522

CC1(O)OCC2(CCCC(OCc3ccccc3)C2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
DPP4 P27487 1/20 0.38
FFAR1 O14842 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
HDAC4 P56524 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
TRPA1 O75762 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33

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
SCHEMBL30291243 1.00 OPRM1 (0.40) OPRM1OPRL1DPP4FFAR1SIGMAR1
SCHEMBL23668800 0.90 OPRM1 (0.41) OPRM1OPRL1DPP4FFAR1SIGMAR1
SCHEMBL30291320 0.90 OPRM1 (0.41) OPRM1OPRL1DPP4FFAR1SIGMAR1
SCHEMBL23645487 0.85 OPRM1 (0.35) OPRM1OPRL1DPP4FFAR1SIGMAR1
SCHEMBL23645211 0.80 OPRM1 (0.35) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL30291422 0.79 OPRM1 (0.39) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23644320 0.79 OPRM1 (0.39) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645063 0.78 OPRM1 (0.38) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645212 0.78 OPRM1 (0.33) OPRM1OPRL1DPP4SIGMAR1EPHX2
SCHEMBL23645508 0.77 SIGMAR1 (0.39) OPRM1OPRL1DPP4FFAR1SIGMAR1

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 OPRM1 2886/4885OPRL1 2634/4885DPP4 3662/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS OPRM1 2886/4885OPRL1 2634/4885DPP4 3662/4885

“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.