SCHEMBL1887532

SCHEMBL1887532

CP(=O)(O)C[C@@H](CN)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.76
CYP1A2 P05177 2/20 0.76
THRB P10828 2/20 0.76
MAPT P10636 1/20 0.76
PMP22 Q01453 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
GABBR2 O75899 7/20 0.54
GABBR1 Q9UBS5 7/20 0.54
CYP2C9 P11712 2/20 0.54
CYP3A4 P08684 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
NFKB1 P19838 1/20 0.54
DRD3 P35462 1/20 0.54
BLM P54132 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL1893272 1.00 LMNA (0.76) LMNACYP1A2THRBMAPTPMP22
SCHEMBL1881771 1.00 LMNA (0.76) LMNACYP1A2THRBMAPTPMP22
Phaclofen SCHEMBL339995 0.86 LMNA (1.00) LMNACYP1A2THRBMAPTPMP22
Phaclofen SCHEMBL10343565 0.85 LMNA (0.97) LMNACYP1A2THRBMAPTPMP22
SCHEMBL6358532 0.83 GABBR2 (0.53) LMNACYP1A2THRBMAPTPMP22
SCHEMBL6350896 0.81 LMNA (0.68) LMNACYP1A2THRBMAPTPMP22
SCHEMBL6361790 0.78 LMNA (0.62) LMNACYP1A2THRBMAPTPMP22
Phaclofen SCHEMBL10343564 0.78 LMNA (0.68) LMNACYP1A2THRBMAPTPMP22
SCHEMBL9417082 0.76 LMNA (0.56) LMNACYP1A2THRBMAPTPMP22
SCHEMBL10507284 0.75 GABBR2 (0.64) LMNACYP1A2THRBMAPTPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2009-02-24 US claimed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. 2006-05-25 US claimed
WO-2006050472-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF 3-AMINOPROPYLPHOSPHONOUS AND -PHOSPHINIC ACIDS XENOPORT, INC. (US) 2006-05-11 WO claimed
US-7935686-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2011-05-03 US disclosed
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use XENOPORT, INC. (US) 2009-05-14 US disclosed
US-7494985-B2 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. (US) 2009-02-24 US disclosed
US-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use XENOPORT, INC. 2006-05-25 US disclosed
WO-2006050472-A2 ACYLOXYALKYL CARBAMATE PRODRUGS OF 3-AMINOPROPYLPHOSPHONOUS AND -PHOSPHINIC ACIDS XENOPORT, INC. (US) 2006-05-11 WO 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 (2 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-20060111325-A1 Acyloxyalkyl carbamate prodrugs, methods of synthesis, and use APEH, AASDHPPT, AGPS LMNA 3723/4885CYP1A2 2232/4885THRB 3156/4885
US-20090124582-A1 Acyloxyalkyl Carbamate Prodrugs, Methods of Synthesis, and Use APEH, AASDHPPT, AGPS LMNA 3723/4885CYP1A2 2232/4885THRB 3156/4885

“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.