Sugi Predict

Sugi Predict / Compounds / SCHEMBL2798436

SCHEMBL2798436

SCHEMBL2798436

CC1(C)CNCCC1(O)Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.42
▸ SLC6A2 P23975 3/20 0.38
▸ SLC6A4 P31645 3/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ FPR2 P25090 2/20 0.34
▸ PROKR1 Q8TCW9 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33

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
SCHEMBL2795302 0.85 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TRPA1CHRNA1
SCHEMBL2795835 0.78 DRD2 (0.47) DRD2SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL20224876 0.74 DRD2 (0.46) DRD2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL336299 0.74 DRD2 (0.55) DRD2SLC6A2SLC6A4HTR2CFPR2
SCHEMBL440316 0.73 DRD2 (0.54) DRD2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL440317 0.73 DRD2 (0.54) DRD2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL656206 0.73 DRD2 (0.54) DRD2SLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL11613923 0.72 DRD2 (0.53) DRD2SLC6A2SLC6A4HTR2CFPR2
SCHEMBL23771457 0.72 SLC6A2 (0.37) DRD2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL16312624 0.69 DRD2 (0.49) DRD2SLC6A2SLC6A4SLC6A3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 — — WO disclosed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 — — WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 — — US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 — — US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — 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 (2 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 DRD2 1779/4885SLC6A2 4157/4885SLC6A4 3726/4885
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 DRD2 744/4885SLC6A2 4553/4885SLC6A4 3812/4885

“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.