SCHEMBL1769375

SCHEMBL1769375

N[C@@H](CCc1cnc[nH]1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.71
SLC7A5 Q01650 1/20 0.71
CPB2 Q96IY4 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
GABRA1 P14867 1/20 0.51
NFKB1 P19838 1/20 0.51
GABRR1 P24046 1/20 0.51
GABRR2 P28476 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
HRH4 Q9H3N8 4/20 0.50
HRH3 Q9Y5N1 4/20 0.50
HRH2 P25021 2/20 0.50
LMNA P02545 1/20 0.50
MIF P14174 1/20 0.50
HRH1 P35367 1/20 0.50
TBXAS1 P24557 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL1769379 1.00 CYP3A4 (0.71) CYP3A4SLC7A5CPB2ALDH1A1TSHR
SCHEMBL17846590 0.90 CYP3A4 (0.67) CYP3A4SLC7A5CPB2HRH4HRH3
SCHEMBL17846592 0.89 CYP3A4 (0.65) CYP3A4SLC7A5CPB2HRH4HRH3
SCHEMBL17846591 0.88 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3HRH2
SCHEMBL21645050 0.88 CYP3A4 (0.63) CYP3A4SLC7A5HRH4HRH3HRH2
SCHEMBL18878708 0.87 CYP3A4 (0.57) CYP3A4SLC7A5ALDH1A1TSHRGABRA1
Histidine SCHEMBL19974306 0.83 CYP3A4 (1.00) CYP3A4SLC7A5CPB2ALDH1A1TSHR
Histidine SCHEMBL30852263 0.83 CYP3A4 (1.00) CYP3A4SLC7A5CPB2ALDH1A1TSHR
D-Histidine SCHEMBL288043 0.83 CYP3A4 (1.00) CYP3A4SLC7A5CPB2ALDH1A1TSHR
Histidine SCHEMBL388560 0.83 CYP3A4 (1.00) CYP3A4SLC7A5CPB2ALDH1A1TSHR

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753446-B2 Beta-hairpin peptidomimetics POLYPHOR AG (CH) 2023-09-12 US disclosed
US-11629171-B2 Beta-hairpin peptidomimetics SPEXIS AG (CH) 2023-04-18 US disclosed
US-11591365-B2 BCL9 peptides and variants thereof WNTRX PHARMACEUTICALS INC. (US) 2023-02-28 US disclosed
CN-115093463-A Beta-hairpin peptidomimetics 波利弗尔股份公司 2022-09-23 CN disclosed
EP-3201219-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-17 EP disclosed
EP-3201218-B1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-11-03 EP disclosed
CN-105324390-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-10-19 CN disclosed
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS SPEXIS AG (CH) 2021-09-16 US disclosed
CN-105849119-B Beta-hairpin peptidomimetics 波利弗尔股份公司 2021-01-19 CN disclosed
EP-3280723-B1 BACKBONE-CYCLIZED PEPTIDOMIMETICS POLYPHOR AG (CH) 2021-01-06 EP disclosed
US-20160052971-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2016-02-25 US disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-20140287986-A1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 POLYPHOR AG (CH) 2014-09-25 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2013-08-29 US disclosed
CN-102844327-A Template-fixed peptidomimetics with CXCR7 modulatory activity POLYPHOR AG 2012-12-26 CN disclosed
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2012-11-08 US disclosed
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
WO-2011060832-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY POLYPHOR AG (CH) 2011-05-26 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 (9 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-20140287986-A1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF FPR1 FPR1, FPR3, FPR2 CYP3A4 3817/4885SLC7A5 3559/4885CPB2 833/4885
US-20120283168-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVITY CCR10, CCR1, CCRL2 CYP3A4 4212/4885SLC7A5 1767/4885CPB2 1042/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP3A4 4803/4885SLC7A5 760/4885CPB2 2057/4885
US-11629171-B2 Beta-hairpin peptidomimetics POLL, POLQ, HBZ CYP3A4 4821/4885SLC7A5 1303/4885CPB2 977/4885
US-20160052971-A1 BETA-HAIRPIN PEPTIDOMIMETICS C1S, POLL, BACE1 CYP3A4 4534/4885SLC7A5 2721/4885CPB2 319/4885
US-20130225506-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 CYP3A4 4769/4885SLC7A5 677/4885CPB2 2177/4885
US-20210284693-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLL, POLQ, POLM CYP3A4 4842/4885SLC7A5 1534/4885CPB2 569/4885
US-11591365-B2 BCL9 peptides and variants thereof BCL9, BCL9L, BCL3 CYP3A4 4851/4885SLC7A5 4385/4885CPB2 117/4885
US-11753446-B2 Beta-hairpin peptidomimetics POLL, BACE1, C1S CYP3A4 4540/4885SLC7A5 3020/4885CPB2 329/4885

“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.