SCHEMBL26831713

SCHEMBL26831713

C[C@H](Nc1nc(N2CCN(C(=O)[C@H]3CCC(=O)N3)CC2)ncc1Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 10/20 0.43
NAMPT P43490 2/20 0.39
SOS1 Q07889 2/20 0.38
P2RX3 P56373 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCL6 P41182 1/20 0.37
IDH1 O75874 2/20 0.37

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
SCHEMBL26835287 1.00 CCR4 (0.43) CCR4NAMPTSOS1P2RX3KDM4E
SCHEMBL26611445 1.00 CCR4 (0.43) CCR4NAMPTSOS1P2RX3KDM4E
SCHEMBL26611439 1.00 CCR4 (0.43) CCR4NAMPTSOS1P2RX3KDM4E
SCHEMBL26611443 1.00 CCR4 (0.43) CCR4NAMPTSOS1P2RX3KDM4E
SCHEMBL26831714 1.00 CCR4 (0.43) CCR4NAMPTSOS1P2RX3KDM4E
SCHEMBL26831678 0.95 CCR4 (0.45) CCR4SOS1P2RX3
SCHEMBL26831672 0.95 CCR4 (0.45) CCR4SOS1P2RX3
SCHEMBL26831365 0.94 CCR4 (0.42) CCR4NAMPTSOS1P2RX3KDM4E
SCHEMBL26831356 0.94 KDM4E (0.40) CCR4NAMPTP2RX3KDM4ELMNA
SCHEMBL30619258 0.93 IDH1 (0.42) CCR4NAMPTP2RX3KDM4ELMNA

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-20230382894-A1 CCR4 ANTAGONISTS CHEMOCENTRYX, INC. 2023-11-30 US disclosed
US-20230382894-A1 CCR4 ANTAGONISTS CHEMOCENTRYX, INC. 2023-11-30 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-20230382894-A1 CCR4 ANTAGONISTS CCR4, CCR1, CCR3 CCR4 1/4885NAMPT 3631/4885SOS1 4348/4885

“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.