SCHEMBL20745111

SCHEMBL20745111

OCc1ccnc(N2CCC3(CC2)CC(F)(F)CO3)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 5/20 0.37
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ KIF18A Q8NI77 2/20 0.32
▸ ACACB O00763 1/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ ACHE P22303 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R1 P27986 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
SCHEMBL20746494 0.83 TRPV3 (0.42) SORDNR1H2TRPV3KIF18AACACB
SCHEMBL20745663 0.75 SORD (0.41) SORDMEN1KMT2ANR1H2PIK3CA
SCHEMBL22320566 0.75 ACACB (0.41) SORDNR1H2KIF18AACACB
SCHEMBL20745960 0.74 ACACB (0.41) SORDCYP3A4CYP2C19ALDH1A1HSD17B10
SCHEMBL16815392 0.73 PIK3CA (0.51) SORDMAPK1SMN1; SMN2PIK3CAACHE
SCHEMBL20745044 0.73 NR1H2 (0.36) SORDCYP3A4CYP2C19ALDH1A1HSD17B10
SCHEMBL20745038 0.72 PIK3CA (0.50) SORDMAPK1SMN1; SMN2PIK3CAACHE
SCHEMBL20746289 0.72 PIK3CA (0.50) SORDMAPK1SMN1; SMN2PIK3CAACHE
SCHEMBL28059125 0.72 ACHE (0.46) SORDCYP3A4CYP2C19SMN1; SMN2MEN1
SCHEMBL22262720 0.71 ACHE (0.39) SORDACACBPIK3CAACHEPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2025-10-09 — — US disclosed
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 — — US disclosed
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2023-12-14 — — US disclosed
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-07-30 — — US disclosed
EP-3668502-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 — — EP disclosed
WO-2019035927-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 — — 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 (4 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-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SORD 4658/4885SLC6A2 4717/4885SLC6A4 4507/4885
US-20200239494-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SORD 4658/4885SLC6A2 4717/4885SLC6A4 4507/4885
US-20250313572-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SORD 4658/4885SLC6A2 4717/4885SLC6A4 4507/4885
US-20230399340-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 SORD 4658/4885SLC6A2 4717/4885SLC6A4 4507/4885

“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.

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