SCHEMBL289187

SCHEMBL289187

O=C(O)CNCCc1cnc[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.59
QPCTL Q9NXS2 1/20 0.59
TBXAS1 P24557 1/20 0.58
HRH4 Q9H3N8 2/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 2/20 0.56
GABRA1 P14867 1/20 0.56
NFKB1 P19838 1/20 0.56
GABRR1 P24046 1/20 0.56
GABRR2 P28476 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL288721 0.83 CYP3A4 (0.59) QPCTQPCTLTBXAS1HRH4ALDH1A1
SCHEMBL9906891 0.83 QPCT (0.59) QPCTQPCTLHRH4ALDH1A1CYP3A4
SCHEMBL1527998 0.80 TBXAS1 (0.72) QPCTQPCTLTBXAS1HRH4ALDH1A1
SCHEMBL18381205 0.80 CYP3A4 (0.74) QPCTQPCTLTBXAS1ALDH1A1CYP3A4
SCHEMBL2755863 0.79 QPCT (0.73) QPCTQPCTLHRH4ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL1371691 0.79 TBXAS1 (0.75) QPCTQPCTLTBXAS1HRH4ALDH1A1
SCHEMBL21858082 0.77 QPCT (0.75) QPCTQPCTLHRH4ALDH1A1CYP3A4
SCHEMBL13851684 0.77 TBXAS1 (0.84) TBXAS1HRH4ALDH1A1CYP3A4TSHR
SCHEMBL17483161 0.77 QPCT (0.75) QPCTQPCTLHRH4ALDH1A1CYP3A4
SCHEMBL18381218 0.77 CYP3A4 (0.70) QPCTQPCTLTBXAS1HRH4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250170216-A1 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. 2025-05-29 US disclosed
US-20230295259-A1 Conjugated Hepcidin Mimetics PROTAGONIST THERAPEUTICS, INC. 2023-09-21 US disclosed
CN-104284891-B Conformationally constrained, fully synthetic macrocyclic compounds 波利弗尔股份公司 2018-04-17 CN disclosed
EP-2427476-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY Polyphor Ag (CH) 2012-03-14 EP disclosed
WO-2011066869-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2011-06-09 WO disclosed
WO-2010127704-A1 BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-11-11 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 (2 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-20230295259-A1 Conjugated Hepcidin Mimetics HAMP, VIP, HDGF QPCT 162/4885QPCTL 155/4885TBXAS1 1570/4885
US-20250170216-A1 CONJUGATED HEPCIDIN MIMETICS HAMP, VIP, HDGF QPCT 259/4885QPCTL 260/4885TBXAS1 1449/4885

“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.