SCHEMBL3394431

SCHEMBL3394431

CCCCCOOC(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CES2 O00748 2/20 0.42
TP53 P04637 2/20 0.41
EPHX1 P07099 1/20 0.41
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
DGKA P23743 1/20 0.39
HCAR2 Q8TDS4 2/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL18631797 0.98 NAAA (0.47) NAAATSHRALDH1A1CES2TP53
SCHEMBL1722804 0.93
SCHEMBL5038236 0.84 NAAA (0.42) NAAATSHRALDH1A1CES2EPHX1
SCHEMBL27882777 0.83
SCHEMBL5032705 0.82 NAAA (0.41) NAAATSHRALDH1A1CES2EPHX1
SCHEMBL14719802 0.81 NAAA (0.46) NAAATSHRALDH1A1CES2TP53
SCHEMBL10871545 0.79 ALDH1A1 (0.33) NAAATSHRALDH1A1CYP3A4
SCHEMBL124892 0.79 ALDH1A1 (0.50) NAAATSHRALDH1A1CES2TP53
SCHEMBL1526422 0.79 NAAA (0.45) NAAATSHRALDH1A1CES2EPHX1
SCHEMBL10615595 0.79 TSHR (0.50) NAAATSHRCES2EPHX1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4122914-B1 COMPOUND AND METHOD FOR PREPARATION OF LISDEXAMFETAMINE SCI PHARMTECH INC (TW) 2023-08-16 EP claimed
US-11608312-B1 Compound and method for preparation of lisdexamfetamine SCI PHARMTECH INC. (TW) 2023-03-21 US claimed
US-20230084232-A1 COMPOUND AND METHOD FOR PREPARATION OF LISDEXAMFETAMINE SCI PHARMTECH INC. (TW) 2023-03-16 US claimed
EP-4122914-A1 COMPOUND AND METHOD FOR PREPARATION OF LISDEXAMFETAMINE SCI Pharmtech Inc. (CN) 2023-01-25 EP claimed
EP-4122914-B1 COMPOUND AND METHOD FOR PREPARATION OF LISDEXAMFETAMINE SCI PHARMTECH INC (TW) 2023-08-16 EP disclosed
EP-4215517-A1 COMPOUND AND METHOD FOR PREPARATION OF LISDEXAMFETAMINE SCI Pharmtech Inc. (CN) 2023-07-26 EP disclosed
US-11608312-B1 Compound and method for preparation of lisdexamfetamine SCI PHARMTECH INC. (TW) 2023-03-21 US disclosed
US-20230084232-A1 COMPOUND AND METHOD FOR PREPARATION OF LISDEXAMFETAMINE SCI PHARMTECH INC. (TW) 2023-03-16 US disclosed
EP-4122914-A1 COMPOUND AND METHOD FOR PREPARATION OF LISDEXAMFETAMINE SCI Pharmtech Inc. (CN) 2023-01-25 EP disclosed
WO-2013011526-A1 PROCESS FOR PREPARATION OF LISDEXAMPHETAMINE AND SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2013-01-24 WO disclosed
EP-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-7365211-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-04-29 US disclosed
EP-1730120-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-13 EP disclosed
EP-1656353-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
WO-2005090317-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO disclosed
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain ROCHE PALO ALTO LLC 2005-05-12 US disclosed
WO-2005016892-A1 GABANERGIC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-24 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 (3 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-11608312-B1 Compound and method for preparation of lisdexamfetamine COMT, CYP2D6, SLC6A3 NAAA 517/4885TSHR 4238/4885ALDH1A1 1254/4885
US-20050101614-A1 For example, 7-(2,4-Dichloro-phenyl)-2-methyl-2H-pyrazolo[4,3-b]pyridine; for treatment of depression, an anxiety disorder, a psychiatric disorder, a learning or cognitive disorder, a sleep disorder, a convulsive or seizure disorder, or pain HTR2C, GABRA2, GABRA4 NAAA 3164/4885TSHR 1400/4885ALDH1A1 536/4885
US-20230084232-A1 COMPOUND AND METHOD FOR PREPARATION OF LISDEXAMFETAMINE COMT, CYP2D6, SLC6A3 NAAA 517/4885TSHR 4238/4885ALDH1A1 1254/4885

“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.