SCHEMBL29300481

SCHEMBL29300481

CCCCN1CCN(C(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.43
GNAI1 P63096 3/20 0.43
EPHX2 P34913 3/20 0.42
CASP2 P42575 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
OPRD1 P41143 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NAAA Q02083 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FOLH1 Q04609 1/20 0.40
GNAO1 P09471 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29299677 0.87 TP53 (0.46) HTR1AHTR7OPRD1SIGMAR1TP53
SCHEMBL29300509 0.85 CASP2 (0.45) EPHX2CASP2OPRD1SIGMAR1MEN1
SCHEMBL5547349 0.83 CASP2 (0.51) EPHX2CASP2MEN1KMT2ANAAA
SCHEMBL254811 0.83 CASP2 (0.51) EPHX2CASP2MEN1KMT2ANAAA
SCHEMBL18118429 0.83 CASP2 (0.51) EPHX2CASP2MEN1KMT2ANAAA
SCHEMBL23824100 0.83 CASP2 (0.51) EPHX2CASP2MEN1KMT2ANAAA
SCHEMBL29300501 0.82 CASP2 (0.51) EPHX2CASP2OPRD1MEN1KMT2A
SCHEMBL26178992 0.82 ALDH1A1 (0.49) EPHX2CASP2SIGMAR1MEN1KMT2A
SCHEMBL24783776 0.81 CASP2 (0.54) GNAI3GNAI1EPHX2CASP2L3MBTL1
SCHEMBL29300550 0.81 ALDH1A1 (0.47) EPHX2CASP2OPRD1SIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 US 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-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R GNAI3 1655/4885GNAI1 1458/4885EPHX2 3074/4885

“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.