SCHEMBL1043746

SCHEMBL1043746

OCC1COc2ccc(F)c(F)c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 4/20 0.34
ADRA1D P25100 3/20 0.34
ADRA1B P35368 3/20 0.34
HPGD P15428 2/20 0.34
HTR1A P08908 2/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 3/20 0.33
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
FFAR1 O14842 1/20 0.32
HTT P42858 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD1 P21728 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
SCHEMBL6978317 1.00 L3MBTL1 (0.35) L3MBTL1MAPK1ADRA1AADRA1DADRA1B
SCHEMBL1021052 0.82 ADRA1A (0.47) L3MBTL1MAPK1ADRA1AADRA1DADRA1B
SCHEMBL6974656 0.82 ADRA1A (0.47) L3MBTL1MAPK1ADRA1AADRA1DADRA1B
SCHEMBL7685745 0.80 ACHE (0.39) ADRA1AHTR1ACA2PRKAB2PRKAG1
SCHEMBL1879004 0.76 POLB (0.58) MAPK1ADRA1AADRA1DADRA1BHTR1A
SCHEMBL10853195 0.74 CA2 (0.40) ADRA1AADRA1DADRA1BHTR1ATSHR
SCHEMBL1044700 0.73 CA2 (0.38) L3MBTL1MAPK1ADRA1AHPGDHTR1A
SCHEMBL15864966 0.73 CA2 (0.38) L3MBTL1MAPK1ADRA1AHPGDHTR1A
SCHEMBL8480609 0.72 CA2 (0.58) ADRA1AHTR1ACA2PRKAB2PRKAG1
SCHEMBL1043824 0.72 CA2 (0.51) HTR1ACA2FFAR1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO disclosed
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 L3MBTL1 4244/4885MAPK1 2258/4885ADRA1A 45/4885

“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.