SCHEMBL2821161

SCHEMBL2821161

N#Cc1ccc(NC2CCN(Cc3cccc(Cl)c3)CC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.54
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 2/20 0.50
BACE1 P56817 1/20 0.49
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45
NSD2 O96028 1/20 0.45
CCR2 P41597 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
SCHEMBL2822514 0.89 ACHE (0.67) ACHEBACE1KDM4EGAAMAPT
SCHEMBL2819624 0.88 ACHE (0.53) ACHEROCK2ROCK1BACE1DRD2
SCHEMBL2822558 0.87 ACHE (0.51) ACHEDRD2DRD3SIGMAR1ALDH1A1
SCHEMBL2820003 0.85 DRD2 (0.53) ACHEROCK2BACE1DRD2DRD3
SCHEMBL2820760 0.84 DRD2 (0.69) ACHEDRD2DRD3SIGMAR1KDM4E
SCHEMBL27759415 0.84 ACKR3 (0.51) ACHESIGMAR1MEN1KMT2A
SCHEMBL2821717 0.82 ACHE (0.52) ACHEBACE1DRD2DRD3NSD2
SCHEMBL2819124 0.82 PRKAA2 (0.56) ACHEBACE1DRD2DRD3SIGMAR1
SCHEMBL2819296 0.81 DRD2 (0.51) ACHEBACE1DRD2DRD3SIGMAR1
SCHEMBL2819939 0.81 DRD2 (0.55) ACHEDRD2DRD3KDM4EGAA

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 9 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
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
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
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
US-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2010-03-25 US disclosed
US-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2010-03-25 US 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 ACHE 300/4885ROCK2 1069/4885ROCK1 2517/4885

“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.