SCHEMBL4858569

SCHEMBL4858569

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
PRKDC P78527 1/20 0.35
IDH1 O75874 1/20 0.35
EPHX2 P34913 1/20 0.35
SIGMAR1 Q99720 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 SCHEMBL4851451 0.99 LGMN (0.39) LGMNALDH1A1MEN1KMT2AHRH3
SCHEMBL5014900 0.91 LGMN (0.42) LGMNALDH1A1MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL4856303 0.91 LGMN (0.41) LGMNALDH1A1MEN1KMT2AHRH3
SCHEMBL6021719 0.90 LGMN (0.39) LGMNALDH1A1MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL4858389 0.89 LGMN (0.38) LGMNALDH1A1MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL4856861 0.88 LGMN (0.38) LGMNALDH1A1MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL4855413 0.86 IDH1 (0.36) LGMNALDH1A1MAPTSMN1; SMN2IDH1
Hydrochloric Acid SCHEMBL4856284 0.84 DRD2 (0.40) LGMNSIGMAR1
Hydrochloric Acid SCHEMBL4858147 0.83 OPRD1 (0.42) LGMNLMNAHPGDSMN1; SMN2PRKDC
Hydrochloric Acid SCHEMBL5016684 0.83 LGMN (0.39) LGMNALDH1A1MEN1KMT2AMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
EP-1698620-B1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS EISAI R&D MAN CO LTD (JP) 2016-09-28 EP disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7425554-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
US-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
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
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 US disclosed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 EP disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (3 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 707/4885MEN1 3432/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 LGMN 4885/4885ALDH1A1 705/4885MEN1 2969/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 LGMN 4885/4885ALDH1A1 617/4885MEN1 2159/4885

“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.