SCHEMBL17124803

SCHEMBL17124803

O=C(NCc1cccnc1)[C@@H]1CCN(Cc2cccc(Oc3ccccc3)c2)C1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.62
TRPV6 Q9H1D0 1/20 0.60
LMNA P02545 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 1/20 0.57
ALDH1A1 P00352 1/20 0.56
ACKR3 P25106 1/20 0.56
KMT2A Q03164 2/20 0.55
TP53 P04637 1/20 0.53
FAAH O00519 1/20 0.53

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
SCHEMBL17055910 0.87 KDM4E (0.65) CCR8TRPV6KDM4EACKR3KMT2A
SCHEMBL17124804 0.85 KDM4E (0.73) CCR8KDM4EALDH1A1ACKR3KMT2A
SCHEMBL17055909 0.85 CCR8 (0.67) CCR8KDM4EKMT2A
SCHEMBL17055926 0.85 CCR8 (0.64) CCR8KDM4E
SCHEMBL17055931 0.85 CCR8 (0.67) CCR8LMNAKDM4EALDH1A1FAAH
SCHEMBL17055980 0.85 CCR8 (0.64) CCR8KDM4EACKR3FAAH
SCHEMBL17055928 0.85 CCR8 (0.64) CCR8KDM4E
SCHEMBL17055982 0.85 CCR8 (0.64) CCR8KDM4EALDH1A1ACKR3FAAH
SCHEMBL17055927 0.85 CCR8 (0.64) CCR8KDM4EALDH1A1
SCHEMBL17108220 0.84 CCR8 (0.66) CCR8KDM4EMAPTALDH1A1ACKR3

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 CCR8 1120/4885TRPV6 3435/4885LMNA 4761/4885

“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.