SCHEMBL3321651

SCHEMBL3321651

FC(F)(F)c1nnc(NC2CCN(Cc3ccccc3)CC2)s1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ACHE P22303 9/20 0.53
▸ BCHE P06276 4/20 0.53
▸ BACE1 P56817 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SIGMAR1 Q99720 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL3322725 0.89 MEN1 (0.50) PKML3MBTL1ACHEBCHEBACE1
SCHEMBL27780900 0.88 MEN1 (0.51) PKML3MBTL1ACHEGAAKMT2A
SCHEMBL3323359 0.84 CXCR3 (0.50) PKML3MBTL1ACHEBCHEBACE1
SCHEMBL3323699 0.84 DRD2 (0.62) PKML3MBTL1ACHEKDM4EGAA
SCHEMBL19500907 0.83 ACHE (0.60) L3MBTL1ACHEBCHEBACE1KDM4E
SCHEMBL13361813 0.82 DRD2 (0.53) PKML3MBTL1ACHEKDM4EGAA
SCHEMBL3323191 0.82 DRD2 (0.52) PKML3MBTL1ACHEKDM4EGAA
SCHEMBL27802452 0.78 SSTR5 (0.46) GAAKMT2AMEN1SIGMAR1LMNA
SCHEMBL3320533 0.78 ACHE (0.53) ACHEBCHEBACE1KDM4EGAA
SCHEMBL27780878 0.76 CARM1 (0.50) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933101-B2 Thia(dia)zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 — — US claimed
US-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A., (ES) 2010-05-13 — — US claimed
EP-2148879-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 — — EP claimed
WO-2008128996-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 — — WO claimed
US-8933101-B2 Thia(dia)zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 — — US disclosed
US-8933101-B2 Thia(dia)zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 — — US disclosed
US-8933101-B2 Thia(dia)zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 — — US disclosed
US-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A., (ES) 2010-05-13 — — US disclosed
US-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A., (ES) 2010-05-13 — — US disclosed
US-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A., (ES) 2010-05-13 — — US disclosed
EP-2148879-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 — — EP disclosed
WO-2008128996-A1 THIA(DIA)ZOLES 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-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS GRIN2A, DRD2, GRIN2C PKM 3165/4885L3MBTL1 4733/4885ACHE 776/4885

“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.

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