SCHEMBL5016608

SCHEMBL5016608

CCCCN1CCN(c2cc(OC)c(N3CCOCC3)cc2C2CCC(C)(C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.45
DRD3 P35462 7/20 0.45
HTR1A P08908 2/20 0.42
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.37
SIGMAR1 Q99720 3/20 0.35
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MAPK1 P28482 1/20 0.35
SCN1A P35498 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 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 SCHEMBL5015865 0.99 DRD2 (0.44) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL4255180 0.91 DRD2 (0.44) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4857163 0.90 DRD2 (0.43) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4856043 0.88 HTR1A (0.44) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4856474 0.85 DRD2 (0.44) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4858284 0.84 DRD2 (0.41) DRD2DRD3HTR1ADRD4ADRA1A
Hydrochloric Acid SCHEMBL5024785 0.82 DRD2 (0.45) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4856521 0.82 DRD2 (0.44) DRD2DRD3HTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL4858951 0.81 KDM4E (0.40) DRD2DRD3ALDH1A1MAPK1
SCHEMBL13806192 0.79 DRD2 (0.41) DRD2DRD3HTR1ADRD4HTR2A

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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 US claimed
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 DRD2 554/4885DRD3 315/4885HTR1A 1433/4885

“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.