SCHEMBL5109652

SCHEMBL5109652

CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
AAK1 Q2M2I8 3/20 0.47
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
SSTR3 P32745 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 1/20 0.40
PYGL P06737 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN9A Q15858 2/20 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
SCHEMBL5103994 0.84 AAK1 (0.55) OPRM1OPRD1CTDSP1AAK1LMNA
SCHEMBL2332614 0.83 AAK1 (0.51) OPRM1OPRD1CTDSP1AAK1LMNA
SCHEMBL1481829 0.83 AAK1 (0.51) OPRM1OPRD1CTDSP1AAK1LMNA
SCHEMBL1479007 0.82 AAK1 (0.49) OPRM1OPRD1CTDSP1AAK1LMNA
SCHEMBL2332863 0.82 AAK1 (0.49) OPRM1OPRD1CTDSP1AAK1LMNA
SCHEMBL1479853 0.80 AAK1 (0.48) OPRM1OPRD1CTDSP1AAK1LMNA
SCHEMBL2326825 0.80 AAK1 (0.48) OPRM1OPRD1CTDSP1AAK1LMNA
SCHEMBL4157800 0.79 ALDH1A1 (0.56) AAK1LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL4144874 0.79 AAK1 (0.47) OPRM1OPRD1CTDSP1AAK1LMNA
SCHEMBL28586691 0.78 AAK1 (0.46) AAK1LMNASMN1; SMN2

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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 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 (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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 OPRM1 500/4885OPRD1 676/4885CTDSP1 413/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 OPRM1 318/4885OPRD1 431/4885CTDSP1 556/4885

“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.