SCHEMBL4855142

SCHEMBL4855142

COC1CCN(c2ccc(N3CCNCC3)c(C3=CCC4(CCCCC4)CC3)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE7A Q13946 5/20 0.34
ADRB1 P08588 4/20 0.33
HTR7 P34969 2/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
PDE7B Q9NP56 2/20 0.33
PDE4D Q08499 1/20 0.33
HTR3E A5X5Y0 2/20 0.33
HTR3B O95264 2/20 0.33
HTR3A P46098 2/20 0.33
HTR3D Q70Z44 2/20 0.33
HTR3C Q8WXA8 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 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
Hydrochloric Acid SCHEMBL4849337 0.88 ALK (0.35) SIGMAR1ALK
Hydrochloric Acid SCHEMBL4851134 0.86 OPRD1 (0.35)
Hydrochloric Acid SCHEMBL4860367 0.86 DRD2 (0.37) ALDH1A1HTR7HTR1AHTR1DHTR1B
SCHEMBL4852091 0.86 OPRK1 (0.36) ALDH1A1HTR7HTR1ASIGMAR1LMNA
Hydrochloric Acid SCHEMBL4855801 0.86 OPRK1 (0.36) ALDH1A1HTR7HTR1ASIGMAR1LMNA
Hydrochloric Acid SCHEMBL4852582 0.85 DRD2 (0.38) ALDH1A1HTR7HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL4857230 0.85 OPRD1 (0.34) HTR1AIDH1
SCHEMBL14064663 0.85 BACE1 (0.36) MAPTALDH1A1MAPK1PDE7AIDH1
Hydrochloric Acid SCHEMBL4855049 0.85 HTR1A (0.35) HTR7HTR1A
Hydrochloric Acid SCHEMBL5023197 0.84 HTR1A (0.33) ALDH1A1HTR7HTR1ALMNA

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 MAPT 2411/4885ALDH1A1 707/4885MAPK1 668/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 MAPT 2870/4885ALDH1A1 705/4885MAPK1 690/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 MAPT 2706/4885ALDH1A1 617/4885MAPK1 836/4885

“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.