SCHEMBL1967537

SCHEMBL1967537

CC(C)(C)C(N)CCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.56
GABRD O14764 2/20 0.56
GABRA1 P14867 2/20 0.56
GABRB1 P18505 2/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
GABRA5 P31644 2/20 0.56
GABRA3 P34903 2/20 0.56
GABRA2 P47869 2/20 0.56
GABRB2 P47870 2/20 0.56
GABRA4 P48169 2/20 0.56
GABRE P78334 2/20 0.56
GABRA6 Q16445 2/20 0.56
GABRG1 Q8N1C3 2/20 0.56
GABRG3 Q99928 2/20 0.56
GABRQ Q9UN88 2/20 0.56
CYP1A2 P05177 2/20 0.56
GRM8 O00222 1/20 0.56
GRM6 O15303 1/20 0.56
GRIN2D O15399 1/20 0.56

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
SCHEMBL288324 1.00 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL288867 0.82 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12234122 0.81 BLM (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21623036 0.81 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12420329 0.77 CYP1A2 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21427150 0.77 CYP1A2 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
D-Glutamate SCHEMBL27849133 0.76 GRM8 (0.86) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11227199 0.76 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31059816 0.76 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24757397 0.76 CYP1A2 (0.56) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544434-B2 Process for the preparation of lisdexamfetamine and related derivatives NORAMCO, INC. (US) 2020-01-28 US disclosed
CN-104284891-B Conformationally constrained, fully synthetic macrocyclic compounds 波利弗尔股份公司 2018-04-17 CN disclosed
US-9636411-B2 Large scale process for preparing poly (glutamyl-glutamate) conjugates NITTO DENKO CORPORATION (JP) 2017-05-02 US disclosed
US-20160376618-A1 PROCESS FOR THE PREPARATION OF LISDEXAMFETAMINE AND RELATED DERIVATIVES NORAMCO, LLC 2016-12-29 US disclosed
US-9402819-B2 Anti-HIV compound and preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-08-02 US disclosed
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-11-05 US disclosed
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-10-27 US disclosed
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 US disclosed
EP-2334670-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES Almirall S.A. (ES) 2011-06-22 EP disclosed
US-20100323990-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2010-12-23 US disclosed
WO-2010043377-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2010-04-22 WO disclosed
WO-2007147252-A1 SHIP 1 MODULATOR PRODRUGS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2007-12-27 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 (6 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-20100323990-A1 SHIP 1 MODULATOR PRODRUGS PPM1D, PPM1G, PPM1F GABRP 2932/4885GABRD 3943/4885GABRA1 3185/4885
US-10544434-B2 Process for the preparation of lisdexamfetamine and related derivatives COMT, MGAM, GAA GABRP 2081/4885GABRD 2095/4885GABRA1 2563/4885
US-20110263539-A1 SHIP 1 MODULATOR COMPOUNDS PPM1F, PPM1D, PPP1R1B GABRP 3351/4885GABRD 3970/4885GABRA1 3088/4885
US-20160376618-A1 PROCESS FOR THE PREPARATION OF LISDEXAMFETAMINE AND RELATED DERIVATIVES COMT, MGAM, GAA GABRP 2081/4885GABRD 2095/4885GABRA1 2563/4885
US-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES S1PR2, S1PR3, S1PR1 GABRP 387/4885GABRD 1010/4885GABRA1 571/4885
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF FURIN, CD4, SI GABRP 4080/4885GABRD 4866/4885GABRA1 4795/4885

“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.