SCHEMBL23645474

SCHEMBL23645474

O=C1OCc2ccccc2C12CCCC(O)C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR2A P28223 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
AVPR1A P37288 6/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2B Q13224 1/20 0.31
SLC18A3 Q16572 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL30291291 1.00 MAPK1 (0.37) MAPK1ALDH1A1HTR2AMAOAMAOB
SCHEMBL23645675 0.79 ALDH1A1 (0.38) MAPK1ALDH1A1SMN1; SMN2AVPR1A
SCHEMBL14707059 0.78 HTR2A (0.44) MAPK1HTR2AMAOBSMN1; SMN2SLC18A3
SCHEMBL30291308 0.77 SIGMAR1 (0.39) MAPK1ALDH1A1HTR2AMAOAMAOB
SCHEMBL23644292 0.77 SIGMAR1 (0.39) MAPK1ALDH1A1HTR2AMAOAMAOB
SCHEMBL23645684 0.75 ALDH1A1 (0.36) MAPK1ALDH1A1AVPR1A
SCHEMBL30291304 0.75 ALDH1A1 (0.36) MAPK1ALDH1A1AVPR1A
SCHEMBL23645472 0.69 SIGMAR1 (0.36) HTR2AKCNH2GRIN2BSLC18A3SIGMAR1
SCHEMBL3013232 0.66 HRH1 (0.57) HTR2AMAOAKCNH2
SCHEMBL7751714 0.64 TSHR (0.31)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK1 424/4885ALDH1A1 349/4885HTR2A 3503/4885
US-11312724-B2 Spirocyclic tetrahydroquinazolines KRAS, NRAS, HRAS MAPK1 424/4885ALDH1A1 349/4885HTR2A 3503/4885

“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.