SCHEMBL2821846

SCHEMBL2821846

N#Cc1ccc(C2CCN(Cc3ccccc3)CC2)nn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.50
DRD4 P21917 6/20 0.50
DRD3 P35462 6/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ACHE P22303 3/20 0.47
CHRM4 P08173 1/20 0.46
CCR3 P51677 1/20 0.46
RET P07949 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL13490679 0.81 HRH3 (0.55) DRD2DRD4DRD3HRH3ACHE
SCHEMBL2822514 0.79 ACHE (0.67) HRH3ACHECHRM4KMT2A
SCHEMBL3324632 0.77 HRH3 (0.48) DRD2DRD4DRD3HRH3ACHE
SCHEMBL27759412 0.75 CHRM4 (0.50) CHRM4
SCHEMBL169363 0.74 DRD2 (0.60) DRD2DRD4DRD3ACHECCR3
SCHEMBL17936691 0.73 DRD2 (0.52) DRD2DRD4DRD3ACHECCR3
SCHEMBL171620 0.73 HPGDS (0.55) DRD2DRD4DRD3ACHECCR3
SCHEMBL13490551 0.73 DRD2 (0.52) DRD2DRD4DRD3HRH3ACHE
SCHEMBL13490548 0.73 DRD4 (0.52) DRD2DRD4DRD3ACHECCR3
SCHEMBL7238995 0.72 HRH3 (0.65) DRD2DRD4HRH3ACHECHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101547915-B Piperidinylamino-pyridazines and their use as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-08-21 CN 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
US-20100076187-A1 FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A. (ES) 2010-03-25 US disclosed
CN-101547915-A Piperidinylamino-pyridazines and their use as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 CN 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 1/4885DRD4 13/4885DRD3 8/4885

“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.