SCHEMBL5577652

SCHEMBL5577652

COc1ccc(CN2CCC(c3cccc(CNC(=O)c4ccc(NC(C)=O)cc4)c3)CC2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.63
ROCK2 O75116 1/20 0.51
CCR3 P51677 1/20 0.49
ACKR3 P25106 3/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MCHR1 Q99705 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL5577563 0.88 DRD2 (0.58) CCR5ACKR3KMT2AMCHR1DRD2
SCHEMBL5577672 0.88 KMT2A (0.51) CCR5ROCK2CCR3ACKR3KMT2A
SCHEMBL5577379 0.87 CCR3 (0.53) CCR5ROCK2CCR3ACKR3LMNA
SCHEMBL5577572 0.87 CHRM3 (0.54) CCR5ROCK2CCR3ACKR3KMT2A
SCHEMBL5577603 0.86 CCR5 (0.55) CCR5KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5578008 0.85 DRD2 (0.61) CCR5KMT2AMCHR1DRD2
SCHEMBL5577586 0.84 ACKR3 (0.53) CCR5ACKR3MCHR1SMN1; SMN2DRD2
SCHEMBL5577681 0.83 CCR2 (0.56)
SCHEMBL5577392 0.82 ALDH1A1 (0.62) CCR5ACKR3KMT2ALMNAALDH1A1
SCHEMBL5577897 0.81 GAA (0.54) ACKR3LMNAALDH1A1MCHR1SMN1; SMN2

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C CCR5 183/4885ROCK2 1957/4885CCR3 120/4885

“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.