SCHEMBL1976593

SCHEMBL1976593

Cn1c(CCF)nnc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13104703 0.79 MAPT (0.38) MAPTRECQLMEN1TSHRKMT2A
SCHEMBL4786220 0.78 MAPT (0.37) MAPTRECQLMEN1TSHRKMT2A
SCHEMBL29245722 0.78 MAPT (0.41) MAPTRECQLMEN1TSHRKMT2A
SCHEMBL11339077 0.78 MAPT (0.37) MAPTRECQLMEN1TSHRKMT2A
SCHEMBL16363146 0.75 MAPT (0.42) MAPTRECQLMEN1TSHRKMT2A
SCHEMBL4101014 0.74 SMN1; SMN2 (0.38) MAPTRECQLMEN1TSHRKMT2A
SCHEMBL13093073 0.67 MAPT (0.38) MAPTRECQLMEN1TSHRKMT2A
SCHEMBL4785865 0.67 MAPT (0.38) MAPTRECQLMEN1TSHRKMT2A
SCHEMBL17899581 0.64 HSD11B1 (0.30)
SCHEMBL13095083 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486984-B2 Aminomethyl substituted bicyclic aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO., KG (DE) 2013-07-16 US disclosed
US-8383641-B2 Aryloxyethylamine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-02-26 US disclosed
US-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG 2011-06-16 US disclosed
US-7851463-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2010-12-14 US disclosed
US-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-06-04 US disclosed
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-02-21 US 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 (3 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-20090143383-A1 ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR SLC6A3, DRD3, MC3R MAPT 2195/4885RECQL 2633/4885MEN1 2492/4885
US-20080045493-A1 Heterocyclic Compounds Suitable For Treating Disorders That Respond To Modulation Of The Dopamine D3 Receptor DRD3, MC3R, CHRNA3 MAPT 3892/4885RECQL 3365/4885MEN1 2369/4885
US-20110144146-A1 Aminomethyl Substituted Bicyclic Aromatic Compounds Suitable for Treating Disorders That Respond to Modulation of the Dopamine D3 Receptor CHRNA3, HCRTR2, CRHR2 MAPT 4106/4885RECQL 3063/4885MEN1 3663/4885

“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.