SCHEMBL3328074

SCHEMBL3328074

FC(F)(F)c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.60
BCHE P06276 3/20 0.60
BACE1 P56817 3/20 0.60
SIGMAR1 Q99720 3/20 0.58
CCR6 P51684 2/20 0.58
CHRM2 P08172 2/20 0.56
CHRM1 P11229 2/20 0.56
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
CHRM4 P08173 1/20 0.53
SLC6A5 Q9Y345 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52

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
SCHEMBL3327650 0.84 DRD2 (0.69) ACHEBCHEBACE1SIGMAR1CCR6
SCHEMBL19086828 0.84 ACHE (0.59) ACHEBCHEBACE1SIGMAR1HRH3
SCHEMBL2418918 0.82 CCR6 (0.51) ACHECCR6DRD2
SCHEMBL4687045 0.81 ACHE (0.59) ACHEBCHEBACE1MAPK1HRH3
SCHEMBL4218644 0.81 ACHE (0.58) ACHEBCHEBACE1SIGMAR1HRH3
SCHEMBL2420441 0.80 SSTR5 (0.61) CCR6DRD2
SCHEMBL2418270 0.80 SSTR5 (0.56) CCR6DRD2
SCHEMBL4227761 0.80 ACHE (0.57) ACHEBCHEBACE1SIGMAR1HRH3
SCHEMBL2419193 0.79 SSTR5 (0.51) CCR6
SCHEMBL15739645 0.79 CCR6 (0.61) CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-03 US claimed
CN-101663291-A Pyridine derivate as the dopamine 2 receptor antagonists of fast dissociating JANSSEN PHARMACEUTICA NV 2010-03-03 CN claimed
EP-2148872-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP claimed
WO-2008128994-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 WO claimed
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-03 US disclosed
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-03 US disclosed
US-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-03 US disclosed
CN-101663291-A Pyridine derivate as the dopamine 2 receptor antagonists of fast dissociating JANSSEN PHARMACEUTICA NV 2010-03-03 CN disclosed
EP-2148872-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 EP disclosed
WO-2008128994-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 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-20100137368-A1 PYRIDINE DERIVATIVES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS DRD2, GRIN2C, GRIN2A ACHE 214/4885BCHE 1607/4885BACE1 2152/4885

“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.