SCHEMBL2821717

SCHEMBL2821717

Cc1ccc(CN2CCC(Nc3ccc(C#N)nn3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.52
CCNK O75909 1/20 0.49
CDK12 Q9NYV4 1/20 0.49
BACE1 P56817 3/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
PRKAA2 P54646 1/20 0.45
EHMT2 Q96KQ7 2/20 0.44
NSD2 O96028 1/20 0.43
BCHE P06276 1/20 0.43
MCHR1 Q99705 1/20 0.42

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
SCHEMBL2819624 0.89 ACHE (0.53) ACHECCNKCDK12BACE1DRD2
SCHEMBL2819124 0.88 PRKAA2 (0.56) ACHECCNKCDK12BACE1DRD2
SCHEMBL2822514 0.88 ACHE (0.67) ACHECCNKCDK12BACE1NSD2
SCHEMBL2819916 0.85 DRD2 (0.54) ACHECCNKCDK12BACE1DRD2
SCHEMBL2820697 0.85 DRD2 (0.57) ACHECCNKCDK12DRD2DRD3
SCHEMBL2820760 0.83 DRD2 (0.69) ACHECCNKCDK12DRD2DRD3
SCHEMBL2819296 0.83 DRD2 (0.51) ACHECCNKCDK12BACE1DRD2
SCHEMBL2821574 0.82 DRD2 (0.54) ACHECCNKCDK12BACE1DRD2
SCHEMBL2821161 0.82 ACHE (0.54) ACHEBACE1DRD2DRD3NSD2
SCHEMBL27759411 0.82 ACHE (0.56) ACHEMCHR1

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 ACHE 300/4885CCNK 1052/4885CDK12 690/4885

“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.