SCHEMBL5577508

SCHEMBL5577508

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4cccc(C)c4)cc3)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
DRD4 P21917 1/20 0.58
THRB P10828 1/20 0.54
CHRM3 P20309 1/20 0.52
CCR5 P51681 4/20 0.51
ACHE P22303 2/20 0.51
ABCB1 P08183 2/20 0.50
MCHR1 Q99705 2/20 0.50
RAB9A P51151 1/20 0.50
KCNH2 Q12809 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
BCHE P06276 1/20 0.49
LMNA P02545 1/20 0.49
CCR2 P41597 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL5577808 0.92 CCR5 (0.51) DRD2DRD4CCR5ACHEABCB1
SCHEMBL5577689 0.91 CCR5 (0.61) CCR5ACHEABCB1MCHR1RAB9A
SCHEMBL5577417 0.91 NR1H4 (0.58) CCR5ACHEABCB1MCHR1SMN1; SMN2
SCHEMBL5577463 0.90 MCHR1 (0.61) CHRM3CCR5ACHEMCHR1KCNH2
SCHEMBL5577534 0.90 ALDH1A1 (0.54) CCR5ACHEABCB1MCHR1SMN1; SMN2
SCHEMBL5577714 0.88 NR1H4 (0.53) CCR5ACHEABCB1MCHR1SMN1; SMN2
SCHEMBL5577818 0.88 CCR2 (0.59) CHRM3MCHR1RAB9AKCNH2SMN1; SMN2
SCHEMBL5577316 0.88 DRD2 (0.64) DRD2DRD4CHRM3MCHR1KCNH2
SCHEMBL5577498 0.86 DRD2 (0.53) DRD2DRD4THRBCHRM3LMNA
SCHEMBL5577836 0.86 TSHR (0.59) CHRM3CCR5ACHEMCHR1KCNH2

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 DRD2 4468/4885DRD4 4092/4885THRB 4513/4885

“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.