SCHEMBL6131520

SCHEMBL6131520

CCCN(CCC)Cc1ccc(NC(=O)c2ccc(CNC(Cc3ncc[nH]3)c3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
TRPV1 Q8NER1 8/20 0.39
RORC P51449 2/20 0.37
CTNNB1 P35222 5/20 0.37
TCF7L2 Q9NQB0 5/20 0.37
HDAC3 O15379 1/20 0.36

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
SCHEMBL6131474 0.90 CXCR4 (0.40) CXCR4HDAC1HDAC2TRPV1RORC
SCHEMBL6131600 0.89 CXCR4 (0.43) CXCR4RORCCTNNB1TCF7L2
SCHEMBL6131606 0.86 CXCR4 (0.40) CXCR4TRPV1RORCCTNNB1TCF7L2
SCHEMBL6131483 0.86 CXCR4 (0.40) CXCR4RORCCTNNB1TCF7L2
SCHEMBL5624699 0.85 CXCR4 (0.42) CXCR4TRPV1RORC
SCHEMBL6131482 0.85 CXCR4 (0.43) CXCR4
SCHEMBL1204839 0.84 HDAC1 (0.55) CXCR4HDAC1HDAC2TRPV1RORC
SCHEMBL6131506 0.83 CXCR4 (0.43) CXCR4TRPV1RORC
SCHEMBL6131495 0.81 CXCR4 (0.39) CXCR4TRPV1RORCCTNNB1TCF7L2
SCHEMBL12894415 0.79 CXCR4 (0.55) CXCR4RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 EP claimed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US disclosed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 EP 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-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 CXCR4 90/4885HDAC1 223/4885HDAC2 424/4885

“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.