SCHEMBL19951671

SCHEMBL19951671

C[C@H](Nc1ccnc2ccccc12)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
HTR1A P08908 2/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
HTR2C P28335 3/20 0.47
HTR2B P41595 3/20 0.47
DNMT1 P26358 2/20 0.47
DNMT3A Q9Y6K1 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HDAC3 O15379 1/20 0.47
ACHE P22303 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL29516922 1.00 PTPN1 (0.51) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL19951672 1.00 PTPN1 (0.51) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL18614717 0.90 MEN1 (0.60) HDAC6KDM4EALDH1A1MEN1KMT2A
SCHEMBL18614718 0.90 MEN1 (0.60) HDAC6KDM4EALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8722574 0.81 ELANE (0.54) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL15912060 0.80 HTR1A (0.58) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL5446408 0.80 NR4A2 (0.68) ADRA1DKDM4EMEN1KMT2A
SCHEMBL899036 0.78 PTPN1 (0.48) PTPN1PTPN11HTR1AADRA1DADRA1A
SCHEMBL30307409 0.78 GALR3 (0.59) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL13100945 0.77 PTPN1 (0.60) PTPN1PTPN11HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
US-20190359653-A1 SELECTIVE PEPTIDE INHIBITORS OF FRIZZLED GENENTECH INC (US) 2019-11-28 US disclosed
US-10385028-B2 Compounds for the treatment of neuromuscular disorders NMD PHARMA A/S (DK) 2019-08-20 US disclosed
EP-3509616-A1 SELECTIVE PEPTIDE INHIBITORS OF FRIZZLED H. Hoffnabb-La Roche Ag (CH) 2019-07-17 EP disclosed
WO-2018049275-A1 SELECTIVE PEPTIDE INHIBITORS OF FRIZZLED GENENTECH, INC. (US) 2018-03-15 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 (1 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-10385028-B2 Compounds for the treatment of neuromuscular disorders RYR1, CACNB1, RYR2 PTPN1 2584/4885PTPN11 3236/4885HTR1A 2063/4885

“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.