SCHEMBL23645487

SCHEMBL23645487

OC1(C(F)(F)F)OCC2(CCCC(OCc3ccccc3)C2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
DPP4 P27487 1/20 0.35
PDK2 Q15119 3/20 0.33
SIGMAR1 Q99720 1/20 0.33
HDAC4 P56524 1/20 0.32
FFAR1 O14842 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL23645522 0.85 OPRM1 (0.40) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL30291243 0.85 OPRM1 (0.40) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645212 0.83 OPRM1 (0.33) OPRM1OPRL1DPP4SIGMAR1
SCHEMBL23645211 0.83 OPRM1 (0.35) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL30291320 0.81 OPRM1 (0.41) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23668800 0.81 OPRM1 (0.41) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645286 0.77 OPRM1 (0.35) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645063 0.75 OPRM1 (0.38) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL23645508 0.74 SIGMAR1 (0.39) OPRM1OPRL1DPP4SIGMAR1HDAC4
SCHEMBL30291301 0.74 SIGMAR1 (0.39) OPRM1OPRL1DPP4SIGMAR1HDAC4

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 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.