SCHEMBL1019535

SCHEMBL1019535

OCC1COc2c(Cl)cc(Br)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAG3 Q9UGI9 2/20 0.35
PRKAG2 Q9UGJ0 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
AKR1B1 P15121 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
CA2 P00918 3/20 0.34
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
FFAR1 O14842 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL1021998 0.82 CA2 (0.36) HTR1AF2RL3CA2RXFP1FFAR1
SCHEMBL1019142 0.82 CA2 (0.36) HTR1AF2RL3CA2RXFP1FFAR1
SCHEMBL15865376 0.82 HTR1A (0.43) HTR1AF2RL3PRKAB2PRKAG1PRKAA2
SCHEMBL15865373 0.82 HTR1A (0.43) HTR1AF2RL3PRKAB2PRKAG1PRKAA2
SCHEMBL29444732 0.79 HTR1A (0.43) HTR1AF2RL3PRKAB2PRKAG1PRKAA2
SCHEMBL28719850 0.79 HTR1A (0.43) HTR1AF2RL3PRKAB2PRKAG1PRKAA2
SCHEMBL28716699 0.79 HTR1A (0.43) HTR1AF2RL3PRKAB2PRKAG1PRKAA2
SCHEMBL11003287 0.78 CA2 (0.46) HTR1ACA2ADRA1DADRA1AADRA1B
SCHEMBL29444744 0.78 CA2 (0.46) HTR1ACA2ADRA1DADRA1AADRA1B
SCHEMBL28718935 0.78 CA2 (0.46) HTR1ACA2ADRA1DADRA1AADRA1B

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
EP-2271634-B1 MODULATORS OF DOPAMINE NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2014-02-12 EP disclosed
US-8524766-B2 Modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2013-09-03 US disclosed
US-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
CN-102036976-A Modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2011-04-27 CN disclosed
EP-2271634-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133107-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 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-20110105461-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 HTR1A 54/4885F2RL3 2605/4885PRKAB2 2730/4885

“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.