SCHEMBL23645698

SCHEMBL23645698

OCC1(c2cccc(F)c2Br)CCCC(OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.43
DPP4 P27487 1/20 0.40
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
P2RX7 Q99572 3/20 0.33
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
LMNA P02545 1/20 0.32
EPHX2 P34913 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
SCHEMBL23645210 0.87 HDAC4 (0.41) HDAC4DPP4OPRM1OPRL1CTSL
SCHEMBL23645516 0.85 DPP4 (0.41) HDAC4DPP4OPRM1OPRL1CTSL
SCHEMBL30291457 0.85 DPP4 (0.41) HDAC4DPP4OPRM1OPRL1CTSL
SCHEMBL23645697 0.85 HDAC4 (0.39) HDAC4DPP4OPRM1OPRL1CTSL
SCHEMBL23644329 0.82 HDAC4 (0.38) HDAC4DPP4OPRM1OPRL1SIGMAR1
SCHEMBL23645514 0.82 DPP4 (0.39) HDAC4DPP4OPRM1OPRL1CTSL
SCHEMBL23645496 0.81 DPP4 (0.41) HDAC4DPP4OPRM1OPRL1CTSL
SCHEMBL23645695 0.81 HDAC4 (0.43) HDAC4DPP4OPRM1OPRL1SIGMAR1
SCHEMBL23645512 0.80 HDAC4 (0.40) HDAC4DPP4OPRM1OPRL1CTSL
SCHEMBL23668821 0.78 OPRM1 (0.39) HDAC4DPP4OPRM1OPRL1CTSL

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 7 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
CN-113087700-A Spirocyclic tetrahydroquinazolines 苏州亚盛药业有限公司 2021-07-09 CN 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 HDAC4 3767/4885DPP4 3662/4885OPRM1 2886/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS HDAC4 3767/4885DPP4 3662/4885OPRM1 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.