SCHEMBL25587413

SCHEMBL25587413

COc1cn(C)cc1CNC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ DRD4 P21917 3/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HPGD P15428 3/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTT P42858 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
SCHEMBL14667212 0.75 KMT2A (0.65) ALDH1A1KMT2AKDM4EHPGDGAA
SCHEMBL25591020 0.74 SMN1; SMN2 (0.40) ALDH1A1KMT2ADRD4MAPTHDAC6
SCHEMBL25587412 0.72 MAPT (0.37) ALDH1A1DRD4DRD2MAPTHDAC6
SCHEMBL19318499 0.71 POLB (0.48) ALDH1A1KMT2ALMNAHPGDCA1
SCHEMBL12404581 0.69 MEN1 (0.52) ALDH1A1KMT2AHDAC6KDM4ELMNA
SCHEMBL28841626 0.68 KMT2A (0.56) ALDH1A1KMT2AHPGDMEN1TSHR
SCHEMBL28638414 0.68 LCK (0.48) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL28098721 0.67 CA1 (0.40) ALDH1A1DRD2MAPTKDM4ELMNA
SCHEMBL25587391 0.67 HDAC6 (0.50) ALDH1A1DRD4DRD2MAPTHDAC6
SCHEMBL19194062 0.66 EZH2 (0.50) ALDH1A1KDM4ETSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 — — US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 — — 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 ALDH1A1 3813/4885KMT2A 2683/4885DRD4 4737/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP ALDH1A1 3857/4885KMT2A 2680/4885DRD4 4697/4885

“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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