SCHEMBL21576901

SCHEMBL21576901

Cc1ccn(CCC(=O)C(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
GAA P10253 1/20 0.41
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
NAMPT P43490 2/20 0.36
LMNA P02545 2/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CBLB Q13191 1/20 0.33

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
SCHEMBL13100959 0.83 GAA (0.50) THRBGAAAKR1C3AKR1C2AKR1C1
SCHEMBL12646124 0.81 THRB (0.50) THRBGAAAKR1C3AKR1C2AKR1C1
SCHEMBL6889406 0.81 THRB (0.50) THRBGAAAKR1C3AKR1C2AKR1C1
SCHEMBL12890294 0.80 THRB (0.53) THRBGAALMNAALDH1A1KDM4E
SCHEMBL24159152 0.79 THRB (0.49) THRBGAAAKR1C3AKR1C2AKR1C1
SCHEMBL27335135 0.77 THRB (0.53) THRBGAAAKR1C3AKR1C2AKR1C1
SCHEMBL27326928 0.77 THRB (0.56) THRBGAAAKR1C3AKR1C2AKR1C1
SCHEMBL24884612 0.75 THRB (0.39) THRBGAAAKR1C3AKR1C2AKR1C1
SCHEMBL22151220 0.75 KDM4E (0.53) THRBGAAAKR1C3AKR1C2AKR1C1
SCHEMBL23742744 0.74 KDM4E (0.48) THRBTLR9TLR8TLR7ALDH1A1

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
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 US 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 (5 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 THRB 3657/4885GAA 2577/4885AKR1C3 3960/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 THRB 3657/4885GAA 2577/4885AKR1C3 3960/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 THRB 3657/4885GAA 2577/4885AKR1C3 3960/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 THRB 3657/4885GAA 2577/4885AKR1C3 3960/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 THRB 3657/4885GAA 2577/4885AKR1C3 3960/4885

“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.