SCHEMBL2819979

SCHEMBL2819979

N#Cc1ccc(NC2CCN(Cc3cc(C(F)(F)F)ccc3F)CC2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
OPRK1 P41145 1/20 0.41
DCUN1D1 Q96GG9 2/20 0.40
ACHE P22303 3/20 0.39
BCHE P06276 1/20 0.39
BACE1 P56817 1/20 0.39
CXCR3 P49682 2/20 0.39
CCR6 P51684 2/20 0.39
GPR6 P46095 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKAA2 P54646 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36

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
SCHEMBL27759413 0.85 DCUN1D1 (0.49) DCUN1D1ACHEMEN1KMT2AUBE2M
SCHEMBL2819916 0.85 DRD2 (0.54) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2821443 0.84 DRD2 (0.53) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2820003 0.83 DRD2 (0.53) DRD2DRD3DCUN1D1ACHEBCHE
SCHEMBL2820578 0.82 DRD2 (0.63) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2818891 0.82 DRD2 (0.52) DRD2DRD3DCUN1D1ACHEBCHE
SCHEMBL2820760 0.81 DRD2 (0.69) DRD2DRD3ACHEPRKAA2JAK2
SCHEMBL2822264 0.80 DRD2 (0.63) DRD2DRD3ACHEBCHEBACE1
SCHEMBL2819939 0.79 DRD2 (0.55) DRD2DRD3OPRK1ACHEPRKAA2
SCHEMBL2819296 0.78 DRD2 (0.51) DRD2DRD3ACHEBCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8466153-B2 Piperidinylamino-pyridazines and their use as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-06-18 US disclosed
EP-2091938-B1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-27 EP disclosed
US-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2010-03-25 US disclosed
EP-2091938-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-26 EP disclosed
WO-2008068277-A1 PIPERIDINYLAMINO-PYRIDAZINES AND THEIR USE AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO 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-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A DRD2 1/4885DRD3 8/4885OPRK1 19/4885

“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.