SCHEMBL618203

SCHEMBL618203

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.55
GABBR1 Q9UBS5 1/20 0.55
CYP2C19 P33261 2/20 0.50
TACR1 P25103 2/20 0.46
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
MAPT P10636 1/20 0.41
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL10022854 1.00 GABBR2 (0.55) GABBR2GABBR1CYP2C19TACR1KMT2A
SCHEMBL618204 1.00 GABBR2 (0.55) GABBR2GABBR1CYP2C19TACR1KMT2A
SCHEMBL19143349 0.84 TACR1 (0.43) GABBR2GABBR1CYP2C19TACR1SMN1; SMN2
SCHEMBL31369450 0.82 CYP2C9 (0.60) GABBR2GABBR1CYP2C19KMT2ACYP2D6
SCHEMBL7876564 0.82 GABBR2 (0.53) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL1667061 0.80 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL1667437 0.80 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL5144343 0.80 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ASMN1; SMN2
SCHEMBL1666942 0.80 GABBR2 (0.52) GABBR2GABBR1CYP2C19MAPT
SCHEMBL1669595 0.80 GABBR2 (0.52) GABBR2GABBR1CYP2C19KMT2ASMN1; 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3208279-B1 MINI-HEPCIDIN PEPTIDES AND METHODS OF USING THEREOF UNIV CALIFORNIA (US) 2021-04-21 EP claimed
US-9896481-B2 Modified mini-hepcidin peptides and methods of using thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 US claimed
EP-2373679-B1 MINI-HEPCIDIN PEPTIDES AND METHODS OF USING THEREOF UNIV CALIFORNIA (US) 2017-03-08 EP claimed
US-8435941-B2 Mini-hepcidin peptides and methods of using thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-07 US claimed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-20210128690-A1 METHODS OF ADMINISTERING HEPCIDIN LA JOLLA PHARMACEUTICAL COMPANY 2021-05-06 US disclosed
EP-3208279-B1 MINI-HEPCIDIN PEPTIDES AND METHODS OF USING THEREOF UNIV CALIFORNIA (US) 2021-04-21 EP disclosed
EP-3240799-B1 S-ALKYLATED HEPCIDIN PEPTIDES AND METHODS OF MAKING AND USING THEREOF UNIV CALIFORNIA (US) 2021-03-31 EP disclosed
US-10947274-B1 Synthetic analgesic peptides of RgIA analogs UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-03-16 US disclosed
US-20200216836-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2020-07-09 US disclosed
US-8435941-B2 Mini-hepcidin peptides and methods of using thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-07 US disclosed
US-20120040894-A1 Mini-Hepcidin Peptides and Methods of Using thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
EP-2341140-A1 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-07-06 EP disclosed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 EP disclosed
EP-1957644-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2010-12-01 EP disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
US-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2009-10-22 US disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 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-20090264300-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES RNGTT, DUT, EMG1 GABBR2 3935/4885GABBR1 3901/4885CYP2C19 3026/4885
US-20210128690-A1 METHODS OF ADMINISTERING HEPCIDIN HAMP, FTH1, HDGF GABBR2 3526/4885GABBR1 3818/4885CYP2C19 4020/4885
US-20120040894-A1 Mini-Hepcidin Peptides and Methods of Using thereof HAMP, VIP, SPPL2B GABBR2 4347/4885GABBR1 4536/4885CYP2C19 3866/4885
US-10947274-B1 Synthetic analgesic peptides of RgIA analogs QRFPR, OPRL1, VIP GABBR2 1369/4885GABBR1 1876/4885CYP2C19 3655/4885

“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.