SCHEMBL5052017

SCHEMBL5052017

CCCCN1CCN(c2cc(OCCOc3ccccc3)ccc2C2CCC(C(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.44
DRD3 P35462 5/20 0.44
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
HRH1 P35367 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42

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 SCHEMBL4251466 0.99 DRD2 (0.44) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL13806085 0.91 SLC6A2 (0.42) DRD2DRD3HTR1AHTR2AHRH1
Hydrochloric Acid SCHEMBL4551186 0.90 SLC6A2 (0.42) DRD2DRD3HTR1AHTR2ASLC6A2
SCHEMBL27773178 0.89 DRD2 (0.43) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL13806211 0.89 DRD2 (0.42) DRD2DRD3HTR1AHTR2ASLC6A2
Hydrochloric Acid SCHEMBL4853288 0.88 DRD2 (0.42) DRD2DRD3HTR1AHTR2AHRH1
Hydrochloric Acid SCHEMBL4256122 0.88 DRD2 (0.42) DRD2DRD3HTR1AHTR2ASLC6A2
SCHEMBL13806191 0.87 DRD2 (0.39) DRD2DRD3HRH1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4252095 0.86 DRD2 (0.38) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL27671014 0.86 DRD2 (0.46) DRD2DRD3HTR1AHTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 DRD2 746/4885DRD3 638/4885HTR1A 721/4885

“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.