SCHEMBL5014900

SCHEMBL5014900

CCC(=O)CN1CCN(c2ccc(N3CCOCC3)cc2C2CCC(C)(C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.42
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
IDH1 O75874 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDE P14735 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
PRKDC P78527 1/20 0.35

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
Hydrochloric Acid SCHEMBL4856303 0.99 LGMN (0.41) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL4858569 0.91 LGMN (0.39) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL18092165 0.91 TMEM97 (0.35) LGMNALDH1A1KMT2AMEN1MAPT
SCHEMBL6021719 0.91 LGMN (0.39) LGMNALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4851451 0.91 LGMN (0.39) LGMNALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4852055 0.90 TMEM97 (0.35) LGMNALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4858389 0.90 LGMN (0.38) LGMNALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4853414 0.89 MAPT (0.35) LGMNALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4856861 0.89 LGMN (0.38) LGMNALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL5016684 0.88 LGMN (0.39) LGMNALDH1A1KMT2AMEN1MAPT

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-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 LGMN 4885/4885ALDH1A1 707/4885KMT2A 3129/4885

“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.