SCHEMBL5577417

SCHEMBL5577417

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccc(OC)c(OC)c4)cc3)CC2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.58
MCHR1 Q99705 1/20 0.57
ACHE P22303 2/20 0.56
BCHE P06276 1/20 0.56
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 2/20 0.55
GAA P10253 1/20 0.55
PDE4A P27815 2/20 0.54
PDE4B Q07343 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
LMNA P02545 3/20 0.54
TDP1 Q9NUW8 1/20 0.53
ABCB1 P08183 2/20 0.52
CCR5 P51681 1/20 0.52

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
SCHEMBL5577714 0.95 NR1H4 (0.53) NR1H4MCHR1ACHEBCHEALDH1A1
SCHEMBL5577534 0.93 ALDH1A1 (0.54) NR1H4MCHR1ACHEBCHEALDH1A1
SCHEMBL5577836 0.93 TSHR (0.59) MCHR1ACHEBCHEALDH1A1SMN1; SMN2
SCHEMBL5577594 0.93 ALDH1A1 (0.54) NR1H4MCHR1ACHEBCHEALDH1A1
SCHEMBL14586598 0.92 LMNA (0.55) MCHR1ACHEBCHEALDH1A1SMN1; SMN2
SCHEMBL5577516 0.92 ALDH1A1 (0.66) NR1H4MCHR1ACHEBCHEALDH1A1
SCHEMBL5577689 0.92 CCR5 (0.61) MCHR1ACHEBCHEALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5577422 0.91 LMNA (0.54) MCHR1ACHEBCHEALDH1A1SMN1; SMN2
SCHEMBL5577343 0.91 MEN1 (0.57) NR1H4MCHR1ACHEBCHEALDH1A1
SCHEMBL5577808 0.91 CCR5 (0.51) NR1H4MCHR1ACHEBCHEALDH1A1

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 NR1H4 333/4885MCHR1 4381/4885ACHE 1504/4885

“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.