Phenibut

Phenibut

SCHEMBL9545047

NC[C@@H](CC(=O)O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 1.00
GABBR1 Q9UBS5 6/20 1.00
LMNA P02545 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
CYP3A4 P08684 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
NFKB1 P19838 1/20 0.70
DRD3 P35462 1/20 0.70
BLM P54132 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
THRB P10828 1/20 0.70
TSHR P16473 1/20 0.70
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.50

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
Phenibut SCHEMBL351501 1.00 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP2C19
Phenibut SCHEMBL340838 1.00 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9CYP2C19
Phenibut SCHEMBL22831453 0.98 GABBR2 (0.96) GABBR2GABBR1LMNACYP2C9CYP2C19
Phenibut SCHEMBL3053795 0.98 GABBR2 (0.96) GABBR2GABBR1LMNACYP2C9CYP2C19
Phenibut SCHEMBL27912811 0.96 GABBR2 (0.92) GABBR2GABBR1LMNACYP2C9CYP2C19
Phenibut SCHEMBL28119792 0.94 GABBR2 (0.89) GABBR2GABBR1LMNACYP2C9CYP2C19
SCHEMBL503819 0.87 GABBR2 (0.76) GABBR2GABBR1LMNACYP2C9CYP2C19
SCHEMBL27691658 0.86 GABBR2 (0.75) GABBR2GABBR1LMNACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7092228 0.85 GABBR2 (0.73) GABBR2GABBR1LMNACYP2C9CYP2C19
SCHEMBL6734410 0.85 GABBR2 (0.73) GABBR2GABBR1LMNACYP2C9CYP2C19

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-11465135-B2 Bifunctional chiral organocatalytic compound having excellent enantioselectivity, preparation method therefor, and method for producing non-natural gamma-amino acid from nitro compound by using same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2022-10-11 US disclosed
US-20200406243-A1 BIFUNCTIONAL CHIRAL ORGANOCATALYTIC COMPOUND HAVING EXCELLENT ENANTIOSELECTIVITY, PREPARATION METHOD THEREFOR, AND METHOD FOR PRODUCING NON-NATURAL GAMMA-AMINO ACID FROM NITRO COMPOUND BY USING SAME KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2020-12-31 US disclosed
US-8791295-B2 Method of producing purified optically acitve 4-amino-3-(substituted phenyl)butanoic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-29 US disclosed
US-8293926-B2 Method of producing optically active 4-amino-3-substituted phenylbutanoic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20110087049-A1 METHOD OF PRODUCING PURIFIED OPTICALLY ACITVE 4-AMINO-3-(SUBSTITUTED PHENYL)BUTANOIC ACID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-04-14 US disclosed
US-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 US disclosed
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN disclosed
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 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 (4 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-11465135-B2 Bifunctional chiral organocatalytic compound having excellent enantioselectivity, preparation method therefor, and method for producing non-natural gamma-amino acid from nitro compound by using same NOTUM, ALDH7A1, AADAT GABBR2 709/4885GABBR1 581/4885LMNA 4555/4885
US-20200406243-A1 BIFUNCTIONAL CHIRAL ORGANOCATALYTIC COMPOUND HAVING EXCELLENT ENANTIOSELECTIVITY, PREPARATION METHOD THEREFOR, AND METHOD FOR PRODUCING NON-NATURAL GAMMA-AMINO ACID FROM NITRO COMPOUND BY USING SAME NOTUM, ALDH7A1, AADAT GABBR2 709/4885GABBR1 581/4885LMNA 4555/4885
US-20090137819-A1 Method of Producing Optically Active 4-Amino-3-Substituted Phenylbutanoic Acid ALAD, ATP6V1B1, DAO GABBR2 36/4885GABBR1 77/4885LMNA 2454/4885
US-20110087049-A1 METHOD OF PRODUCING PURIFIED OPTICALLY ACITVE 4-AMINO-3-(SUBSTITUTED PHENYL)BUTANOIC ACID COMPOUND ALAD, OR10J3, ACMSD GABBR2 44/4885GABBR1 41/4885LMNA 3798/4885

“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.