SCHEMBL17124804

SCHEMBL17124804

O=C(NCc1ccccn1)C1CCN(Cc2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.73
CCR8 P51685 4/20 0.62
ACKR3 P25106 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 2/20 0.53
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL17055908 0.94 KDM4E (0.65) KDM4ECCR8ACKR3MEN1KMT2A
SCHEMBL17055968 0.94 KDM4E (0.65) KDM4ECCR8ACKR3GAAPOLB
SCHEMBL17055776 0.94 KDM4E (0.65) KDM4ECCR8ACKR3KMT2AGAA
SCHEMBL17055885 0.94 KDM4E (0.69) KDM4ECCR8ACKR3MEN1KMT2A
SCHEMBL17056010 0.93 KDM4E (0.66) KDM4ECCR8ACKR3MEN1KMT2A
SCHEMBL17055899 0.93 KDM4E (0.66) KDM4ECCR8ACKR3KMT2AGAA
SCHEMBL17055884 0.93 KDM4E (0.66) KDM4ECCR8ACKR3MEN1KMT2A
SCHEMBL17055950 0.93 KDM4E (0.68) KDM4ECCR8ACKR3MEN1KMT2A
SCHEMBL17056008 0.92 KDM4E (0.65) KDM4ECCR8ACKR3MEN1KMT2A
SCHEMBL17055910 0.92 KDM4E (0.65) KDM4ECCR8ACKR3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274657-A1 PYRROLIDINES MERCK PATENT GMBH (DE) 2015-10-01 US disclosed
US-20150274657-A1 PYRROLIDINES MERCK PATENT GMBH (DE) 2015-10-01 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-20150274657-A1 PYRROLIDINES NR4A3, NR0B1, NR0B2 KDM4E 2503/4885CCR8 1120/4885ACKR3 57/4885

“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.