SCHEMBL23645672

SCHEMBL23645672

N#CC1(c2ccccc2Br)CCCC(OCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
OPRM1 P35372 3/20 0.38
OPRL1 P41146 2/20 0.38
DPP4 P27487 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
NAAA Q02083 6/20 0.36
SIGMAR1 Q99720 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC4 P56524 1/20 0.33
EPHX2 P34913 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL30291311 1.00 CTSL (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL23645512 0.86 HDAC4 (0.40) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL23645516 0.78 DPP4 (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL30291457 0.78 DPP4 (0.41) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL23645470 0.77 OPRM1 (0.38) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL30291397 0.77 OPRM1 (0.38) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL8106440 0.72 PDE7A (0.36) OPRM1MEN1KMT2A
SCHEMBL30291293 0.70 DPP4 (0.38) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL23645517 0.70 DPP4 (0.38) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL12173556 0.70 PDE7A (0.37) OPRM1MEN1KMT2AHDAC4

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 CTSL 2325/4885CTSB 3580/4885CTSK 2283/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS CTSL 2325/4885CTSB 3580/4885CTSK 2283/4885

“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.