SCHEMBL22916883

SCHEMBL22916883

CC(C)NC(=O)c1coc(NC(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
HDAC1 Q13547 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
MLLT1 Q03111 1/20 0.37
NLRP3 Q96P20 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TBXA2R P21731 1/20 0.36
RIPK1 Q13546 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3370259 0.83 ELANE (0.37) HDAC1TSHRNLRP3KDM4EHDAC8
SCHEMBL17248049 0.83 HDAC1 (0.37) HDAC1NLRP3
SCHEMBL12674411 0.83 HDAC1 (0.37) HDAC1NLRP3
SCHEMBL161890 0.79 NPC1 (0.43) NPC1RAB9AHDAC1TSHRSMN1; SMN2
SCHEMBL13631425 0.79 NPC1 (0.43) NPC1RAB9AHDAC1TSHRSMN1; SMN2
SCHEMBL3369232 0.78 NLRP3 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1NLRP3
SCHEMBL23011857 0.78 SMYD3 (0.49) NPC1RAB9AHDAC1TSHRSMN1; SMN2
SCHEMBL2304405 0.78 NPC1 (0.42) NPC1RAB9AHDAC1TSHRSMN1; SMN2
SCHEMBL4486489 0.78 NPC1 (0.46) NPC1RAB9AHDAC1TSHRSMN1; SMN2
SCHEMBL23193214 0.78 HDAC1 (0.44) NPC1RAB9AHDAC1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2021-01-28 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 (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-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 NPC1 100/4885RAB9A 101/4885HDAC1 6/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 NPC1 100/4885RAB9A 101/4885HDAC1 6/4885

“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.