SCHEMBL29862884

SCHEMBL29862884

CC(C)(C)OC(=O)N[C@]1(CO)CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
RORC P51449 3/20 0.42
CTSL P07711 1/20 0.41
SYK P43405 1/20 0.41
KDM1A O60341 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACACB O00763 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL23120954 1.00 MEN1 (0.43) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL22982626 0.94 PPIA (0.43) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL19718088 0.94 MEN1 (0.47) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL13738046 0.93 SYK (0.44) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL24940830 0.92 MEN1 (0.43) MEN1KMT2ASYK
SCHEMBL23121006 0.91 HTT (0.44) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL15774429 0.91 CNR2 (0.43) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL8569029 0.91 PIK3R1 (0.45) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL15788896 0.89 CNR2 (0.51) MEN1KMT2ANPSR1HTTSMN1; SMN2
SCHEMBL15775037 0.87 TMEM97 (0.41) MEN1KMT2ANPSR1HTTSMN1; 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
EP-4013756-B1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-05-08 EP disclosed
US-20220380371-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2022-12-01 US disclosed
EP-4013756-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS Novartis AG (CH) 2022-06-22 EP 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 (1 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-20220380371-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS MLLT1, BMI1, DOT1L MEN1 539/4885KMT2A 10/4885NPSR1 4710/4885

“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.