SCHEMBL5577572

SCHEMBL5577572

COc1ccc(CN2CCC(c3cccc(CNC(=O)c4cccc(Cl)c4)c3)CC2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.54
CCR3 P51677 1/20 0.52
CCR5 P51681 4/20 0.51
MCHR1 Q99705 2/20 0.51
KCNH2 Q12809 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ROCK2 O75116 2/20 0.48
CCR2 P41597 1/20 0.48
CXCR3 P49682 1/20 0.47
LMNA P02545 1/20 0.47
ACKR3 P25106 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
SCHEMBL5577379 0.90 CCR3 (0.53) CHRM3CCR3CCR5ROCK2LMNA
SCHEMBL5577681 0.90 CCR2 (0.56) CHRM3KCNH2CCR2
SCHEMBL5577672 0.88 KMT2A (0.51) CHRM3CCR3CCR5MEN1KMT2A
SCHEMBL5577618 0.87 CHRM3 (0.60) CHRM3MCHR1KCNH2MEN1KMT2A
SCHEMBL5577463 0.87 MCHR1 (0.61) CHRM3CCR5MCHR1KCNH2MEN1
SCHEMBL5577652 0.87 CCR5 (0.63) CCR3CCR5MCHR1KMT2AROCK2
SCHEMBL5577897 0.82 GAA (0.54) CHRM3MCHR1KCNH2LMNAACKR3
SCHEMBL5577392 0.81 ALDH1A1 (0.62) CHRM3CCR5MCHR1KMT2ALMNA
SCHEMBL5577611 0.81 MEN1 (0.59) CHRM3MEN1KMT2ACCR2CXCR3
SCHEMBL5577295 0.80 SMN1; SMN2 (0.53) CHRM3CCR5MCHR1MEN1KMT2A

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 CHRM3 2099/4885CCR3 120/4885CCR5 183/4885

“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.