SCHEMBL16559652

SCHEMBL16559652

Cc1cccc(N2CCN(CCCCOc3ccc4cc[nH]c4n3)CC2)c1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.61
HTR1A P08908 9/20 0.61
HTR2A P28223 8/20 0.61
ADRA1A P35348 2/20 0.51
DRD3 P35462 2/20 0.51
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL15546438 0.87 DRD2 (0.62) DRD2HTR1AHTR2AADRA1ADRD3
SCHEMBL16559710 0.85 HTR1A (0.61) DRD2HTR1AHTR2A
SCHEMBL16559646 0.84 DRD2 (0.76) DRD2HTR1AHTR2ADRD3
SCHEMBL16559653 0.82 DRD2 (0.62) DRD2HTR1AHTR2AADRA1ADRD3
SCHEMBL15559436 0.80 DRD2 (0.59) DRD2HTR1AHTR2AADRA1ADRD3
SCHEMBL16559647 0.78 KCNH2 (0.53) DRD2HTR1AHTR2ADRD3
SCHEMBL5371977 0.78 DRD2 (0.73) DRD2HTR1AHTR2AADRA1ADRD3
SCHEMBL21239024 0.78 HTR1A (0.56) DRD2HTR1AHTR2AADRA1ADRD3
SCHEMBL21238959 0.77 DRD2 (0.57) DRD2HTR1AHTR2AADRA1ADRD3
SCHEMBL5366741 0.76 DRD2 (1.00) DRD2HTR1AHTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 US disclosed
US-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-03-12 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-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU DRD2 53/4885HTR1A 24/4885HTR2A 16/4885

“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.