SCHEMBL29328327

SCHEMBL29328327

CC(=O)C1(CCc2cccc(C(F)(F)F)c2)CN(C(=O)OC(C)(C)C)CCC1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TGFBR1 P36897 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NOTCH1 P46531 1/20 0.39
STS P08842 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
TEAD1 P28347 2/20 0.38
EPHX2 P34913 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL30201213 0.93 TACR1 (0.44) TACR1MEN1KMT2ATGFBR1ALDH1A1
SCHEMBL25090235 0.93 TACR1 (0.44) TACR1MEN1KMT2ATGFBR1ALDH1A1
SCHEMBL30201225 0.90 ALDH1A1 (0.45) TACR1MEN1KMT2ATGFBR1ALDH1A1
SCHEMBL25090505 0.90 ALDH1A1 (0.45) TACR1MEN1KMT2ATGFBR1ALDH1A1
SCHEMBL30201048 0.87 TACR1 (0.43) TACR1MEN1KMT2ATGFBR1ALDH1A1
SCHEMBL25090209 0.87 TACR1 (0.43) TACR1MEN1KMT2ATGFBR1ALDH1A1
SCHEMBL25090397 0.85 TACR1 (0.42) TACR1MEN1KMT2ATGFBR1SMYD3
SCHEMBL25090396 0.85 TACR1 (0.42) TACR1MEN1KMT2ATGFBR1SMYD3
SCHEMBL25090398 0.85 TACR1 (0.42) TACR1MEN1KMT2ATGFBR1SMYD3
SCHEMBL30201190 0.85 TACR1 (0.42) TACR1MEN1KMT2ATGFBR1SMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS CACNA1E, TRPV1, SCN3A TACR1 174/4885MEN1 2615/4885KMT2A 882/4885

“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.