SCHEMBL23645512

SCHEMBL23645512

N#CC1(c2cccc(F)c2Br)CCCC(OCc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRL1 P41146 2/20 0.37
DPP4 P27487 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
NAAA Q02083 5/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 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
SCHEMBL23645672 0.86 CTSL (0.41) HDAC4CTSLCTSBCTSKOPRM1
SCHEMBL30291311 0.86 CTSL (0.41) HDAC4CTSLCTSBCTSKOPRM1
SCHEMBL23645698 0.80 HDAC4 (0.43) HDAC4CTSLCTSBCTSKOPRM1
SCHEMBL23645695 0.80 HDAC4 (0.43) HDAC4OPRM1OPRL1DPP4SLC6A4
SCHEMBL23644329 0.73 HDAC4 (0.38) HDAC4OPRM1OPRL1DPP4SLC6A4
SCHEMBL31454504 0.71 ALDH1A1 (0.36) HDAC4OPRM1NPC1ALDH1A1LMNA
SCHEMBL23645494 0.69 HDAC4 (0.41) HDAC4CTSLCTSBCTSKOPRM1
SCHEMBL30291219 0.69 HDAC4 (0.41) HDAC4CTSLCTSBCTSKOPRM1
SCHEMBL23645210 0.69 HDAC4 (0.41) HDAC4CTSLCTSBCTSKOPRM1
SCHEMBL23645060 0.69 HDAC4 (0.39) HDAC4OPRM1OPRL1DPP4SLC6A4

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 3767/4885CTSL 2325/4885CTSB 3580/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS HDAC4 3767/4885CTSL 2325/4885CTSB 3580/4885

“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.