SCHEMBL3327650

SCHEMBL3327650

Fc1ccc(CN2CCC(Nc3ccc(C(F)(F)F)cn3)CC2)cc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.69
DRD3 P35462 1/20 0.69
SIGMAR1 Q99720 4/20 0.49
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
CCR6 P51684 2/20 0.47
KCNH2 Q12809 1/20 0.46
TEAD1 P28347 1/20 0.45
PRKAA2 P54646 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
ACKR3 P25106 1/20 0.44
DPP4 P27487 1/20 0.43
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK12 Q9NYV4 1/20 0.43

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
SCHEMBL3328074 0.84 ACHE (0.60) DRD2SIGMAR1CCR6BCHEACHE
Jnj-37822681 SCHEMBL29634868 0.81 DRD3 (1.00) DRD2DRD3SIGMAR1ACHEALDH1A1
Jnj-37822681 SCHEMBL30349143 0.81 DRD3 (1.00) DRD2DRD3SIGMAR1ACHEALDH1A1
Jnj-37822681 SCHEMBL1022639 0.81 DRD3 (1.00) DRD2DRD3SIGMAR1ACHEALDH1A1
SCHEMBL2420018 0.81 SSTR5 (0.55) DRD2DRD3CCR6KCNH2
SCHEMBL2420441 0.81 SSTR5 (0.61) DRD2DRD3CCR6KCNH2
SCHEMBL2415066 0.80 SSTR5 (0.56) CCR6KCNH2ALDH1A1
SCHEMBL2418270 0.80 SSTR5 (0.56) DRD2DRD3HIF1AEPAS1CCR6
SCHEMBL2418918 0.80 CCR6 (0.51) DRD2DRD3HIF1AEPAS1CCR6
SCHEMBL2419630 0.79 SSTR5 (0.57) DRD2DRD3CCR6ALDH1A1

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 8 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
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
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 DRD2 1/4885DRD3 11/4885SIGMAR1 222/4885

“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.