SCHEMBL6131495

SCHEMBL6131495

CCCN(CCC)Cc1ccc(NC(=O)c2ccc(CNC(Cc3ncc[nH]3)n3cnc4ccccc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.39
F9 P00740 3/20 0.37
F10 P00742 3/20 0.37
RORC P51449 3/20 0.35
CTNNB1 P35222 3/20 0.35
TCF7L2 Q9NQB0 3/20 0.35
BCHE P06276 1/20 0.34
BDKRB2 P30411 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL6131496 0.81 HDAC1 (0.42) CXCR4F9F10RORCTRPV1
SCHEMBL6131520 0.81 CXCR4 (0.41) CXCR4RORCCTNNB1TCF7L2TRPV1
SCHEMBL6131600 0.80 CXCR4 (0.43) CXCR4RORCCTNNB1TCF7L2BCHE
SCHEMBL6131483 0.80 CXCR4 (0.40) CXCR4RORCCTNNB1TCF7L2
SCHEMBL6131482 0.78 CXCR4 (0.43) CXCR4BDKRB2ALDH1A1LMNA
SCHEMBL6131474 0.77 CXCR4 (0.40) CXCR4RORCBDKRB2TRPV1
SCHEMBL6131506 0.77 CXCR4 (0.43) CXCR4RORCTRPV1
SCHEMBL12894415 0.77 CXCR4 (0.55) CXCR4RORCBDKRB2
SCHEMBL6131606 0.77 CXCR4 (0.40) CXCR4RORCCTNNB1TCF7L2BDKRB2
SCHEMBL5624699 0.77 CXCR4 (0.42) CXCR4RORCBDKRB2TRPV1ALDH1A1

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 90/4885F9 3872/4885F10 748/4885

“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.