SCHEMBL26198366

SCHEMBL26198366

C[C@H](O)CNC(=O)C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.32
ANPEP P15144 1/20 0.32
DNPEP Q9ULA0 1/20 0.32

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
SCHEMBL26199046 1.00 CYP2D6 (0.36) CYP2D6CYP2C19ALDH1A1POLBHDAC6
SCHEMBL10018013 1.00 CYP2D6 (0.36) CYP2D6CYP2C19ALDH1A1POLBHDAC6
SCHEMBL11521154 0.84 CYP2D6 (0.34) CYP2D6CYP2C19ALDH1A1ANPEPDNPEP
SCHEMBL8932181 0.83 CYP2D6 (0.54) CYP2D6CYP2C19ALDH1A1POLBHDAC6
SCHEMBL25592253 0.82 ACACB (0.31) ALDH1A1
SCHEMBL24771260 0.82 CYP2C19 (0.33) CYP2D6CYP2C19ALDH1A1POLBHDAC6
SCHEMBL9497738 0.82 ANPEP (0.34) CYP2D6CYP2C19ALDH1A1ANPEPDNPEP
SCHEMBL24478556 0.81 POLB (0.39) CYP2D6CYP2C19ALDH1A1POLBHDAC6
SCHEMBL12160518 0.80 RIPK1 (0.44) CYP2D6CYP2C19ALDH1A1POLB
SCHEMBL23872347 0.79 CYP2C19 (0.34) CYP2D6CYP2C19ALDH1A1POLBHDAC6

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 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 (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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 CYP2D6 4510/4885CYP2C19 4791/4885ALDH1A1 3813/4885

“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.