SCHEMBL3323699

SCHEMBL3323699

Fc1ccc(CN2CCC(Nc3nnc(C(F)(F)F)s3)CC2)cc1F

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.62
▸ DRD3 P35462 1/20 0.62
▸ SIGMAR1 Q99720 2/20 0.47
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ ACHE P22303 3/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CXCR3 P49682 1/20 0.40

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
SCHEMBL13361813 0.92 DRD2 (0.53) DRD2DRD3SIGMAR1PKML3MBTL1
SCHEMBL3323191 0.91 DRD2 (0.52) DRD2DRD3SIGMAR1PKML3MBTL1
SCHEMBL3322725 0.88 MEN1 (0.50) DRD2DRD3SIGMAR1PKML3MBTL1
SCHEMBL3321651 0.84 PKM (0.61) SIGMAR1PKML3MBTL1HTTACHE
SCHEMBL3321191 0.83 DRD2 (0.54) DRD2DRD3SIGMAR1ALDH1A1HTT
SCHEMBL3323359 0.81 CXCR3 (0.50) PKML3MBTL1ACHEMEN1KMT2A
SCHEMBL27780901 0.81 DRD2 (0.41) DRD2DRD3PKML3MBTL1ACHE
SCHEMBL3325150 0.80 DRD2 (0.64) DRD2DRD3SIGMAR1ALDH1A1HTT
SCHEMBL27802452 0.79 SSTR5 (0.46) DRD2DRD3SIGMAR1HTTMEN1
Jnj-37822681 SCHEMBL30349143 0.77 DRD3 (1.00) DRD2DRD3SIGMAR1ALDH1A1HTT

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 DRD2 2/4885DRD3 33/4885SIGMAR1 148/4885

“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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