SCHEMBL17870847

SCHEMBL17870847

CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)-c3ccccc3-c3cc(-c5cccc6c5-c5ccccc5C6(C)C)ccc3N4)cccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 13/20 0.35
▸ PDK2 Q15119 3/20 0.35
▸ PDK4 Q16654 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GRIA1 P42261 1/20 0.32
▸ CACNG8 Q8WXS5 1/20 0.32
▸ CSNK1G1 Q9HCP0 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
SCHEMBL17882326 0.92 PGR (0.41) PGR
SCHEMBL17882429 0.81 KDM4E (0.36) —
SCHEMBL14702096 0.80 PTPRC (0.38) PGRPDK2PDK4
SCHEMBL29456914 0.77 ALDH1A1 (0.40) PGRPDK2
SCHEMBL22271342 0.77 ALDH1A1 (0.40) PGRPDK2
SCHEMBL24279353 0.77 CYP2A6 (0.41) PGRPDK2
SCHEMBL10045895 0.75 TDP1 (0.43) PGRPDK2MAOBGRIA1CACNG8
SCHEMBL18463604 0.75 IDO1 (0.39) PGRPDK2MAOAMAOB
SCHEMBL24751562 0.75 PDK2 (0.35) PGRPDK2
SCHEMBL25540973 0.75 PGR (0.47) PGRPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237387-B1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRCTURES MERCK PATENT GMBH (DE) 2023-09-06 — — EP disclosed
EP-3237387-B1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRCTURES MERCK PATENT GMBH (DE) 2023-09-06 — — EP disclosed
US-10636979-B2 Heterocyclic compounds with dibenzazapine structures MERCK PATENT GMBH (DE) 2020-04-28 — — US disclosed
US-10636979-B2 Heterocyclic compounds with dibenzazapine structures MERCK PATENT GMBH (DE) 2020-04-28 — — US disclosed
US-20180331301-A1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRUCTURES MERCK PATENT GMBH (DE) 2018-11-15 — — US disclosed
EP-3237387-A1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRCTURES Merck Patent GmbH (DE) 2017-11-01 — — EP disclosed
WO-2016102039-A1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRCTURES MERCK PATENT GMBH (DE) 2016-06-30 — — WO disclosed
WO-2016102039-A1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRCTURES MERCK PATENT GMBH (DE) 2016-06-30 — — 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-10636979-B2 Heterocyclic compounds with dibenzazapine structures DDT, MAOA, MAOB PGR 1900/4885PDK2 942/4885PDK4 1337/4885
US-20180331301-A1 HETEROCYCLIC COMPOUNDS WITH DIBENZAZAPINE STRUCTURES DDT, MAOA, MAOB PGR 1900/4885PDK2 942/4885PDK4 1337/4885

“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.

Send feedback