SCHEMBL10197505

SCHEMBL10197505

COC(=O)CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
GFER P55789 1/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 4/20 0.40
MAPT P10636 2/20 0.40
REV1 Q9UBZ9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10267432 0.88 KMT2A (0.46) MEN1KMT2ALMNATSHRMAPT
SCHEMBL20294761 0.88 HRH3 (0.38) SMN1; SMN2GFERHTTMEN1KMT2A
SCHEMBL25219317 0.87 SMN1; SMN2 (0.43) SMN1; SMN2GFERHTTMEN1KMT2A
SCHEMBL22636528 0.86 S1PR1 (0.50) SMN1; SMN2GFERTSHRMAPTREV1
SCHEMBL24979321 0.85 SMN1; SMN2 (0.46) SMN1; SMN2GFERHTTMEN1KMT2A
SCHEMBL29429852 0.84 MAPT (0.43) SMN1; SMN2MEN1KMT2ATSHRMAPT
SCHEMBL30971835 0.83 DGAT1 (0.47) SMN1; SMN2KMT2AALDH1A1NPSR1
SCHEMBL27396001 0.83 DGAT1 (0.47) SMN1; SMN2KMT2AALDH1A1NPSR1
SCHEMBL23538213 0.81 DEGS1 (0.40) SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL18441078 0.81 OPRM1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1

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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT SMN1; SMN2 4701/4885GFER 2049/4885HTT 1255/4885

“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.