SCHEMBL4833796

SCHEMBL4833796

c1ccc(CN2CCC(Nc3ccc4cc[nH]c4c3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.64
ROCK1 Q13464 6/20 0.64
CCR2 P41597 3/20 0.64
MAPK14 Q16539 2/20 0.55
FAAH O00519 1/20 0.52
ITK Q08881 1/20 0.52
ACHE P22303 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MCHR1 Q99705 2/20 0.49
JAK1 P23458 1/20 0.49
BCHE P06276 1/20 0.49
BACE1 P56817 1/20 0.49
SSTR5 P35346 1/20 0.48
HTR4 Q13639 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL7296357 0.83 ROCK2 (0.61) ROCK2ROCK1CCR2ITKACHE
SCHEMBL3319580 0.83 ROCK2 (0.58) ROCK2ROCK1CCR2ITKACHE
SCHEMBL5409256 0.82 ROCK2 (0.83) ROCK2ROCK1CCR2KDM4E
Hydrochloric Acid SCHEMBL5409061 0.81 ROCK2 (0.82) ROCK2ROCK1CCR2KDM4E
SCHEMBL5405680 0.80 ROCK2 (0.62) ROCK2ROCK1CCR2ITKACHE
SCHEMBL918426 0.78 KDM4E (0.66) ROCK2ROCK1CCR2ACHEKDM4E
SCHEMBL7286870 0.78 KDM4E (0.67) ROCK2ROCK1CCR2ACHEKDM4E
SCHEMBL923860 0.78 LMNA (0.68) ROCK2ROCK1CCR2ACHEKDM4E
SCHEMBL5418874 0.78 ROCK2 (0.63) ROCK2ROCK1CCR2ITKACHE
SCHEMBL224917 0.78 ROCK2 (1.00) ROCK2ROCK1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS CARRUTHERS NICHOLAS I 2008-06-05 US disclosed
US-7317025-B2 Non-peptidic NPY Y2 receptor inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, LLC (US) 2008-01-08 US disclosed
WO-2005030754-A1 INDOLE OR QUINOLINE DERIVATIVES AS NON-PEPTICID NPY Y2 RECEPTOR INHIBITORS USEFUL FOR THE TREATMENT OF ANXIOLYTIC AND DEPRESSIVE DISORDERS AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-04-07 WO disclosed
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-31 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-20080132540-A1 NON-PEPTIDIC NPY Y2 RECEPTOR INHIBITORS NPY2R, NPY1R, NPY5R ROCK2 342/4885ROCK1 565/4885CCR2 813/4885
US-20050070534-A1 Non-peptidic NPY Y2 receptor inhibitors NPY2R, NPY1R, NPY5R ROCK2 342/4885ROCK1 565/4885CCR2 813/4885

“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.