SCHEMBL5577413

SCHEMBL5577413

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccccc4C)cc3)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.54
ACHE P22303 3/20 0.50
CCR5 P51681 3/20 0.50
BCHE P06276 2/20 0.50
PDE10A Q9Y233 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CHRM3 P20309 1/20 0.49
MCHR1 Q99705 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.48
CCR3 P51677 1/20 0.47

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
SCHEMBL5577553 0.93 ABCB1 (0.51) ABCB1ACHECCR5BCHEPDE10A
SCHEMBL5577476 0.90 LMNA (0.55) ABCB1ACHECCR5BCHEPDE10A
SCHEMBL5577593 0.90 ABCB1 (0.49) ABCB1ACHECCR5BCHEPDE10A
SCHEMBL5577744 0.90 ABCB1 (0.49) ABCB1ACHECCR5BCHEPDE10A
SCHEMBL5577314 0.89 ABCB1 (0.49) ABCB1ACHECCR5BCHEPDE10A
SCHEMBL5577329 0.88 HPGD (0.54) ABCB1ACHECCR5BCHEPDE10A
SCHEMBL5577904 0.88 KDM4E (0.57) ABCB1ACHECCR5BCHEPDE10A
SCHEMBL5577689 0.88 CCR5 (0.61) ABCB1ACHECCR5BCHESIGMAR1
SCHEMBL5577878 0.88 CHRM3 (0.52) ABCB1ACHECCR5BCHEPDE10A
SCHEMBL5577301 0.86 ALDH1A1 (0.51) PDE10ASIGMAR1SMN1; SMN2POLB

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 ABCB1 325/4885ACHE 1504/4885CCR5 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.