SCHEMBL23645516

SCHEMBL23645516

OCC1(c2ccccc2Br)CCCC(OCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
HDAC4 P56524 2/20 0.35
EPHX2 P34913 1/20 0.35
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
AGTR2 P50052 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.32
NR1H2 P55055 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
SCHEMBL30291457 1.00 DPP4 (0.41) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL23645496 0.86 DPP4 (0.41) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL23645698 0.85 HDAC4 (0.43) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL23668821 0.83 OPRM1 (0.39) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL30291278 0.83 OPRM1 (0.39) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL23645210 0.81 HDAC4 (0.41) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL30291293 0.80 DPP4 (0.38) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL23645517 0.80 DPP4 (0.38) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL23645697 0.79 HDAC4 (0.39) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL23645672 0.78 CTSL (0.41) DPP4OPRM1OPRL1CTSLCTSB

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

“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.