SCHEMBL4848843

SCHEMBL4848843

COC(=O)CC(C)NC(C)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
FDFT1 P37268 1/20 0.39
CASP1 P29466 1/20 0.39
CTSA P10619 2/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNA5 P22460 1/20 0.37
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 3/20 0.37
HCRTR1 O43613 1/20 0.37
GLS O94925 1/20 0.37

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
SCHEMBL4883592 0.85 ADRB2 (0.46) ADRB2ADRB1CTSA
SCHEMBL4883602 0.85 ADRB2 (0.46) ADRB2ADRB1CTSA
SCHEMBL4893669 0.85 ADRB2 (0.46) ADRB2ADRB1CTSA
SCHEMBL4893661 0.85 ADRB2 (0.46) ADRB2ADRB1CTSA
SCHEMBL4883590 0.85 ADRB2 (0.46) ADRB2ADRB1CTSA
SCHEMBL17749159 0.81 ADRB2 (0.45) ADRB2ADRB1MAPTRAB9AFDFT1
SCHEMBL4848581 0.80 MEN1 (0.48) LMNAMEN1KMT2A
SCHEMBL3537300 0.78 ADRB2 (0.53) ADRB2ADRB1FDFT1CASP1CTSA
SCHEMBL13180091 0.78 CASP1 (0.46) ADRB2ADRB1MAPTRAB9AFDFT1
SCHEMBL28038462 0.78 ADRB2 (0.53) ADRB2ADRB1FDFT1CASP1CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493819-B1 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 (JP) 2014-11-12 EP disclosed
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 ADRB2 216/4885ADRB1 101/4885MAPT 4153/4885

“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.