SCHEMBL4885769

SCHEMBL4885769

O=C(O)C[C@H](NCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.47
CNR1 P21554 1/20 0.44
ACP3 P15309 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4885775 1.00 CNR2 (0.49) CNR2SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4890461 1.00 CNR2 (0.49) CNR2SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL3959553 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AL3MBTL1ATM
SCHEMBL4848662 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AL3MBTL1ATM
SCHEMBL4849251 0.89 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AL3MBTL1ATM
SCHEMBL4882247 0.86 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ATMACP3ALDH1A1
SCHEMBL4885522 0.86 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ATMACP3ALDH1A1
SCHEMBL4882234 0.86 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1ATMACP3ALDH1A1
SCHEMBL4850988 0.86 MEN1 (0.57) CNR2SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4848539 0.85 CTSA (0.49) CNR2SMN1; SMN2NPSR1L3MBTL1ATM

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
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 CNR2 1070/4885SMN1; SMN2 4168/4885MEN1 3529/4885

“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.