SCHEMBL4850186

SCHEMBL4850186

CC(C)(C)C1CC=C(c2cc(N3CCOCC3)ccc2N2CCNCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.36
PSMB5 P28074 1/20 0.35
ADRB1 P08588 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR5A P47898 1/20 0.34
KIF11 P52732 3/20 0.34
PIK3R2 O00459 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR6 P50406 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL4851064 0.86 HTR1A (0.36) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4856031 0.84 OPRD1 (0.36) LGMNPSMB5SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL4848631 0.84 DRD2 (0.37) LGMNPSMB5ALDH1A1HPGDSIGMAR1
Hydrochloric Acid SCHEMBL4853839 0.84 MAPT (0.36) LGMNPSMB5ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4854981 0.84 EBP (0.35) PSMB5HPGDSIGMAR1HTR1ASMN1; SMN2
SCHEMBL4255006 0.83 KDM4E (0.36) ALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL4858120 0.83 KDM4E (0.36) ALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL4852039 0.83 PRKDC (0.37) LGMNPSMB5ALDH1A1HPGDSIGMAR1
Hydrochloric Acid SCHEMBL4857646 0.82 ALDH1A1 (0.33) LGMNPSMB5ALDH1A1KIF11
Hydrochloric Acid SCHEMBL4857827 0.82 KDM4E (0.40) HTR1A

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 13 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
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-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-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 4885/4885PSMB5 1384/4885ADRB1 92/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 LGMN 4885/4885PSMB5 1274/4885ADRB1 73/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 LGMN 4885/4885PSMB5 1302/4885ADRB1 117/4885

“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.