SCHEMBL3322725

SCHEMBL3322725

Fc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PKM P14618 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ACHE P22303 6/20 0.47
▸ BACE1 P56817 3/20 0.47
▸ BCHE P06276 2/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ SSTR5 P35346 1/20 0.46
▸ PRKAA2 P54646 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.44
▸ UBE2M P61081 1/20 0.44
▸ DCUN1D1 Q96GG9 1/20 0.44
▸ NOS3 P29474 2/20 0.43
▸ NOS1 P29475 2/20 0.43
▸ NOS2 P35228 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 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
SCHEMBL3321651 0.89 PKM (0.61) MEN1KMT2APKML3MBTL1ACHE
SCHEMBL27802452 0.89 SSTR5 (0.46) MEN1KMT2ADRD2DRD3SSTR5
SCHEMBL3323699 0.88 DRD2 (0.62) MEN1KMT2APKML3MBTL1ACHE
SCHEMBL13361813 0.86 DRD2 (0.53) MEN1KMT2APKML3MBTL1ACHE
SCHEMBL3323191 0.85 DRD2 (0.52) MEN1KMT2APKML3MBTL1ACHE
SCHEMBL3322115 0.84 ACHE (0.55) MEN1KMT2APKML3MBTL1ACHE
SCHEMBL3323359 0.79 CXCR3 (0.50) MEN1KMT2APKML3MBTL1ACHE
SCHEMBL27780900 0.78 MEN1 (0.51) MEN1KMT2APKML3MBTL1ACHE
SCHEMBL27780901 0.77 DRD2 (0.41) MEN1KMT2APKML3MBTL1ACHE
SCHEMBL3322116 0.76 SCN1A (0.40) PKML3MBTL1ACHEBACE1BCHE

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-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
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 MEN1 4005/4885KMT2A 971/4885PKM 3165/4885

“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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